N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide

C133H127Cl2FN38O15 — CID 158018548

About N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide

N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide (PubChem CID 158018548) has the molecular formula C133H127Cl2FN38O15 and a molecular weight of 2587.63 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide
• PubChem CID: 158018548
• Molecular Formula: C133H127Cl2FN38O15
• Molecular Weight: 2587.63 g/mol
• Exact Mass: 2584.97
• IUPAC Name: N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide
• SMILES: C#CCN(C(=O)c1cc(Cl)nnc1Cl)c1cnc(-c2nc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CCC)cn1.C=CCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCCF)C(=O)c4cnc5ccccc5c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4c[nH]c5ccccc45)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4c[nH]c5ccccc45)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc4nnc(-c5ccccc5)n4c3)nc21
• InChI: InChI=1S/C31H34N8O4.C29H26FN7O3.C26H25N7O3.C24H21Cl2N9O3.C23H21N7O2/c1-2-11-38-28-26(30(41)39(31(38)42)21-8-9-21)34-27(35-28)20-7-10-25(33-18-20)37(13-12-36-14-16-43-17-15-36)29(40)23-19-32-24-6-4-3-5-22(23)24;1-2-13-36-26-24(28(39)37(29(36)40)21-9-10-21)33-25(34-26)19-8-11-23(32-16-19)35(14-5-12-30)27(38)20-15-18-6-3-4-7-22(18)31-17-20;1-3-12-32-23-21(25(35)33(26(32)36)16-9-10-16)29-22(30-23)15-8-11-20(28-13-15)31(2)24(34)18-14-27-19-7-5-4-6-17(18)19;1-3-7-33(22(36)14-9-16(25)31-32-19(14)26)17-11-27-15(10-28-17)20-29-18-21(30-20)34(8-4-2)24(38)35(23(18)37)12-13-5-6-13;1-2-12-28-21-18(22(31)30(23(28)32)16-9-10-16)24-19(25-21)15-8-11-17-26-27-20(29(17)13-15)14-6-4-3-5-7-14/h3-7,10,18-19,21,32H,2,8-9,11-17H2,1H3,(H,34,35);2-4,6-8,11,15-17,21H,1,5,9-10,12-14H2,(H,33,34);4-8,11,13-14,16,27H,3,9-10,12H2,1-2H3,(H,29,30);1,9-11,13H,4-8,12H2,2H3,(H,29,30);3-8,11,13,16H,2,9-10,12H2,1H3,(H,24,25)
• InChIKey: FFTWSZMWKLCRGU-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 622.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2587.63
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide?

The IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide (CID 158018548) is N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide.

What is the SMILES notation for N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide?

The canonical SMILES for N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide is C#CCN(C(=O)c1cc(Cl)nnc1Cl)c1cnc(-c2nc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CCC)cn1.C=CCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCCF)C(=O)c4cnc5ccccc5c4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4c[nH]c5ccccc45)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4c[nH]c5ccccc45)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc4nnc(-c5ccccc5)n4c3)nc21.

What is the InChIKey of N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide?

The InChIKey is FFTWSZMWKLCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O4.C29H26FN7O3.C26H25N7O3.C24H21Cl2N9O3.C23H21N7O2/c1-2-11-38-28-26(30(41)39(31(38)42)21-8-9-21)34-27(35-28)20-7-10-25(33-18-20)37(13-12-36-14-16-43-17-15-36)29(40)23-19-32-24-6-4-3-5-22(23)24;1-2-13-36-26-24(28(39)37(29(36)40)21-9-10-21)33-25(34-26)19-8-11-23(32-16-19)35(14-5-12-30)27(38)20-15-18-6-3-4-7-22(18)31-17-20;1-3-12-32-23-21(25(35)33(26(32)36)16-9-10-16)29-22(30-23)15-8-11-20(28-13-15)31(2)24(34)18-14-27-19-7-5-4-6-17(18)19;1-3-7-33(22(36)14-9-16(25)31-32-19(14)26)17-11-27-15(10-28-17)20-29-18-21(30-20)34(8-4-2)24(38)35(23(18)37)12-13-5-6-13;1-2-12-28-21-18(22(31)30(23(28)32)16-9-10-16)24-19(25-21)15-8-11-17-26-27-20(29(17)13-15)14-6-4-3-5-7-14/h3-7,10,18-19,21,32H,2,8-9,11-17H2,1H3,(H,34,35);2-4,6-8,11,15-17,21H,1,5,9-10,12-14H2,(H,33,34);4-8,11,13-14,16,27H,3,9-10,12H2,1-2H3,(H,29,30);1,9-11,13H,4-8,12H2,2H3,(H,29,30);3-8,11,13,16H,2,9-10,12H2,1H3,(H,24,25).

What are the key properties of N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide?

N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide has a molecular weight of 2587.63 g/mol, XLogP of 16.18, 37 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-cyclopropyl-2,6-dioxo-3-prop-2-enyl-7H-purin-8-yl)-2-pyridinyl]-N-(3-fluoropropyl)quinoline-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-1H-indole-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide;1-cyclopropyl-8-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propyl-7H-purine-2,6-dione;3,6-dichloro-N-[5-[1-(cyclopropylmethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]pyrazin-2-yl]-N-prop-2-ynylpyridazine-4-carboxamide is sourced from PubChem (CID 158018548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).