3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid

C197H159N41O39 — CID 158072134

About 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid

3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid (PubChem CID 158072134) has the molecular formula C197H159N41O39 and a molecular weight of 3724.69 g/mol. Its IUPAC name is 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid.

Molecular Properties

• Compound Name: 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid
• PubChem CID: 158072134
• Molecular Formula: C197H159N41O39
• Molecular Weight: 3724.69 g/mol
• Exact Mass: 3722.17
• IUPAC Name: 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid
• SMILES: CC(=O)Nc1n[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1.CC(=O)c1cccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)c1.CC(=O)c1cccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)c1.CC(=O)c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5ccccc5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5ccccc5C(=O)O)c[nH]c34)cc2C1
• InChI: InChI=1S/5C26H21N5O5.C25H19N5O6.C24H19N5O4.C18H16N6O4/c2*1-14(32)16-3-5-17(6-4-16)25(34)31-20-11-27-23-22(20)29-13-30-24(23)26(35)28-10-15-2-7-21-18(8-15)9-19(33)12-36-21;2*1-14(32)16-3-2-4-17(8-16)25(34)31-20-11-27-23-22(20)29-13-30-24(23)26(35)28-10-15-5-6-21-18(7-15)9-19(33)12-36-21;1-14(32)18-4-2-3-5-19(18)25(34)31-20-11-27-23-22(20)29-13-30-24(23)26(35)28-10-15-6-7-21-16(8-15)9-17(33)12-36-21;31-15-8-14-7-13(5-6-19(14)36-11-15)9-27-24(33)22-21-20(28-12-29-22)18(10-26-21)30-23(32)16-3-1-2-4-17(16)25(34)35;30-17-9-16-8-14(6-7-19(16)33-12-17)10-26-24(32)22-21-20(27-13-28-22)18(11-25-21)29-23(31)15-4-2-1-3-5-15;1-9(25)22-17-15-14(23-24-17)16(21-8-20-15)18(27)19-6-10-2-3-13-11(4-10)5-12(26)7-28-13/h5*2-8,11,13,27H,9-10,12H2,1H3,(H,28,35)(H,31,34);1-7,10,12,26H,8-9,11H2,(H,27,33)(H,30,32)(H,34,35);1-8,11,13,25H,9-10,12H2,(H,26,32)(H,29,31);2-4,8H,5-7H2,1H3,(H,19,27)(H2,22,23,24,25)
• InChIKey: FLYHDKVMFQFYBB-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 1144.10 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 55
• Rotatable Bonds: 45
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3724.69
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid?

The IUPAC name of 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid (CID 158072134) is 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid.

What is the SMILES notation for 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid?

The canonical SMILES for 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid is CC(=O)Nc1n[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1.CC(=O)c1ccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)cc1.CC(=O)c1cccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)c1.CC(=O)c1cccc(C(=O)Nc2c[nH]c3c(C(=O)NCc4ccc5c(c4)CC(=O)CO5)ncnc23)c1.CC(=O)c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5ccccc5)c[nH]c34)cc2C1.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5ccccc5C(=O)O)c[nH]c34)cc2C1.

What is the InChIKey of 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid?

The InChIKey is FLYHDKVMFQFYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/5C26H21N5O5.C25H19N5O6.C24H19N5O4.C18H16N6O4/c2*1-14(32)16-3-5-17(6-4-16)25(34)31-20-11-27-23-22(20)29-13-30-24(23)26(35)28-10-15-2-7-21-18(8-15)9-19(33)12-36-21;2*1-14(32)16-3-2-4-17(8-16)25(34)31-20-11-27-23-22(20)29-13-30-24(23)26(35)28-10-15-5-6-21-18(7-15)9-19(33)12-36-21;1-14(32)18-4-2-3-5-19(18)25(34)31-20-11-27-23-22(20)29-13-30-24(23)26(35)28-10-15-6-7-21-16(8-15)9-17(33)12-36-21;31-15-8-14-7-13(5-6-19(14)36-11-15)9-27-24(33)22-21-20(28-12-29-22)18(10-26-21)30-23(32)16-3-1-2-4-17(16)25(34)35;30-17-9-16-8-14(6-7-19(16)33-12-17)10-26-24(32)22-21-20(27-13-28-22)18(11-25-21)29-23(31)15-4-2-1-3-5-15;1-9(25)22-17-15-14(23-24-17)16(21-8-20-15)18(27)19-6-10-2-3-13-11(4-10)5-12(26)7-28-13/h5*2-8,11,13,27H,9-10,12H2,1H3,(H,28,35)(H,31,34);1-7,10,12,26H,8-9,11H2,(H,27,33)(H,30,32)(H,34,35);1-8,11,13,25H,9-10,12H2,(H,26,32)(H,29,31);2-4,8H,5-7H2,1H3,(H,19,27)(H2,22,23,24,25).

What are the key properties of 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid?

3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid has a molecular weight of 3724.69 g/mol, XLogP of 19.97, 45 rotatable bonds, 25 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(2-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(7-[(3-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);bis(7-[(4-acetylbenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-benzamido-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-[[4-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 158072134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).