N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone

C153H167FN22O25S3 — CID 159177628

About N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone

N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone (PubChem CID 159177628) has the molecular formula C153H167FN22O25S3 and a molecular weight of 2829.35 g/mol. Its IUPAC name is N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone.

Molecular Properties

• Compound Name: N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone
• PubChem CID: 159177628
• Molecular Formula: C153H167FN22O25S3
• Molecular Weight: 2829.35 g/mol
• Exact Mass: 2827.16
• IUPAC Name: N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone
• SMILES: C=S1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c3c2COc2cc(OC)c(-c4ccccn4)cc2-3)C(C)(C)C1.C=S1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c3c2COc2cc(OC)c(-c4cccnc4F)cc2-3)C(C)(C)C1.C=S1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c3c2COc2cc(OC)c(-c4ccn(C)n4)cc2-3)C(C)(C)C1.COc1cc(OC)cc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(-c4cc[nH]c4)c(OC)cc2OC3)c1.COc1cc(OC)cc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(-c4ccn(C)n4)c(OC)cc2OC3)c1
• InChI: InChI=1S/C32H33FN4O5S.C32H34N4O5S.C31H35N5O5S.C29H33N5O5.C29H32N4O5/c1-32(2)18-43(6)11-10-36(32)31(38)28-25-17-42-27-16-26(41-5)23(22-8-7-9-34-30(22)33)15-24(27)29(25)37(35-28)19-12-20(39-3)14-21(13-19)40-4;1-32(2)19-42(6)12-11-35(32)31(37)29-25-18-41-28-17-27(40-5)23(26-9-7-8-10-33-26)16-24(28)30(25)36(34-29)20-13-21(38-3)15-22(14-20)39-4;1-31(2)18-42(7)11-10-35(31)30(37)28-24-17-41-27-16-26(40-6)22(25-8-9-34(3)32-25)15-23(27)29(24)36(33-28)19-12-20(38-4)14-21(13-19)39-5;1-29(2,3)33(5)28(35)26-22-16-39-25-15-24(38-8)20(23-9-10-32(4)30-23)14-21(25)27(22)34(31-26)17-11-18(36-6)13-19(12-17)37-7;1-29(2,3)32(4)28(34)26-23-16-38-25-14-24(37-7)21(17-8-9-30-15-17)13-22(25)27(23)33(31-26)18-10-19(35-5)12-20(11-18)36-6/h7-9,12-16H,6,10-11,17-18H2,1-5H3;7-10,13-17H,6,11-12,18-19H2,1-5H3;8-9,12-16H,7,10-11,17-18H2,1-6H3;9-15H,16H2,1-8H3;8-15,30H,16H2,1-7H3
• InChIKey: KMMCHOJKVYRKGF-UHFFFAOYSA-N
• XLogP: 25.89
• TPSA: 452.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2829.35
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone?

The IUPAC name of N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone (CID 159177628) is N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone.

What is the SMILES notation for N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone?

The canonical SMILES for N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone is C=S1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c3c2COc2cc(OC)c(-c4ccccn4)cc2-3)C(C)(C)C1.C=S1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c3c2COc2cc(OC)c(-c4cccnc4F)cc2-3)C(C)(C)C1.C=S1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c3c2COc2cc(OC)c(-c4ccn(C)n4)cc2-3)C(C)(C)C1.COc1cc(OC)cc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(-c4cc[nH]c4)c(OC)cc2OC3)c1.COc1cc(OC)cc(-n2nc(C(=O)N(C)C(C)(C)C)c3c2-c2cc(-c4ccn(C)n4)c(OC)cc2OC3)c1.

What is the InChIKey of N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone?

The InChIKey is KMMCHOJKVYRKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O5S.C32H34N4O5S.C31H35N5O5S.C29H33N5O5.C29H32N4O5/c1-32(2)18-43(6)11-10-36(32)31(38)28-25-17-42-27-16-26(41-5)23(22-8-7-9-34-30(22)33)15-24(27)29(25)37(35-28)19-12-20(39-3)14-21(13-19)40-4;1-32(2)19-42(6)12-11-35(32)31(37)29-25-18-41-28-17-27(40-5)23(26-9-7-8-10-33-26)16-24(28)30(25)36(34-29)20-13-21(38-3)15-22(14-20)39-4;1-31(2)18-42(7)11-10-35(31)30(37)28-24-17-41-27-16-26(40-6)22(25-8-9-34(3)32-25)15-23(27)29(24)36(33-28)19-12-20(38-4)14-21(13-19)39-5;1-29(2,3)33(5)28(35)26-22-16-39-25-15-24(38-8)20(23-9-10-32(4)30-23)14-21(25)27(22)34(31-26)17-11-18(36-6)13-19(12-17)37-7;1-29(2,3)32(4)28(34)26-23-16-38-25-14-24(37-7)21(17-8-9-30-15-17)13-22(25)27(23)33(31-26)18-10-19(35-5)12-20(11-18)36-6/h7-9,12-16H,6,10-11,17-18H2,1-5H3;7-10,13-17H,6,11-12,18-19H2,1-5H3;8-9,12-16H,7,10-11,17-18H2,1-6H3;9-15H,16H2,1-8H3;8-15,30H,16H2,1-7H3.

What are the key properties of N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone?

N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone has a molecular weight of 2829.35 g/mol, XLogP of 25.89, 30 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;N-tert-butyl-1-(3,5-dimethoxyphenyl)-7-methoxy-N-methyl-8-(1H-pyrrol-3-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;[1-(3,5-dimethoxyphenyl)-8-(2-fluoro-3-pyridinyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-(1-methylpyrazol-3-yl)-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone;[1-(3,5-dimethoxyphenyl)-7-methoxy-8-pyridin-2-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-(3,3-dimethyl-1-methylidene-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 159177628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).