N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C93H69FN16O9S2 — CID 159180087

About N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159180087) has the molecular formula C93H69FN16O9S2 and a molecular weight of 1637.81 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159180087
• Molecular Formula: C93H69FN16O9S2
• Molecular Weight: 1637.81 g/mol
• Exact Mass: 1636.49
• IUPAC Name: N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc(C#Cc2cccc3oc([C@H](C)NC(=O)c4c(C)nn5cccnc45)c(-c4ccccc4)c(=O)c23)cs1.Cc1ncc(C#Cc2cccc3oc([C@H](C)NC(=O)c4c(C)nn5cccnc45)c(-c4ccccc4)c(=O)c23)s1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1cccc(F)c1
• InChI: InChI=1S/C31H23FN6O3.2C31H23N5O3S/c1-18-25(30-33-13-6-14-38(30)36-18)31(40)35-19(2)29-27(22-8-4-9-23(32)15-22)28(39)26-21(7-5-10-24(26)41-29)12-11-20-16-34-37(3)17-20;1-18-25(30-32-15-8-16-36(30)35-18)31(38)33-19(2)29-27(21-9-5-4-6-10-21)28(37)26-22(11-7-12-24(26)39-29)13-14-23-17-40-20(3)34-23;1-18-25(30-32-15-8-16-36(30)35-18)31(38)34-19(2)29-27(21-9-5-4-6-10-21)28(37)26-22(11-7-12-24(26)39-29)13-14-23-17-33-20(3)40-23/h4-10,13-17,19H,1-3H3,(H,35,40);4-12,15-17,19H,1-3H3,(H,33,38);4-12,15-17,19H,1-3H3,(H,34,38)/t3*19-/m000/s1
• InChIKey: KMTVLUUEHJYAJS-HMYDBCSRSA-N
• XLogP: 15.51
• TPSA: 312.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.81
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159180087) is N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(C#Cc2cccc3oc([C@H](C)NC(=O)c4c(C)nn5cccnc45)c(-c4ccccc4)c(=O)c23)cs1.Cc1ncc(C#Cc2cccc3oc([C@H](C)NC(=O)c4c(C)nn5cccnc45)c(-c4ccccc4)c(=O)c23)s1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1cccc(F)c1.

What is the InChIKey of N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KMTVLUUEHJYAJS-HMYDBCSRSA-N. The full InChI is InChI=1S/C31H23FN6O3.2C31H23N5O3S/c1-18-25(30-33-13-6-14-38(30)36-18)31(40)35-19(2)29-27(22-8-4-9-23(32)15-22)28(39)26-21(7-5-10-24(26)41-29)12-11-20-16-34-37(3)17-20;1-18-25(30-32-15-8-16-36(30)35-18)31(38)33-19(2)29-27(21-9-5-4-6-10-21)28(37)26-22(11-7-12-24(26)39-29)13-14-23-17-40-20(3)34-23;1-18-25(30-32-15-8-16-36(30)35-18)31(38)34-19(2)29-27(21-9-5-4-6-10-21)28(37)26-22(11-7-12-24(26)39-29)13-14-23-17-33-20(3)40-23/h4-10,13-17,19H,1-3H3,(H,35,40);4-12,15-17,19H,1-3H3,(H,33,38);4-12,15-17,19H,1-3H3,(H,34,38)/t3*19-/m000/s1.

What are the key properties of N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1637.81 g/mol, XLogP of 15.51, 12 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxochromen-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159180087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).