(2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C112H137N25O10 — CID 159144009

About (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 159144009) has the molecular formula C112H137N25O10 and a molecular weight of 1993.49 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
• PubChem CID: 159144009
• Molecular Formula: C112H137N25O10
• Molecular Weight: 1993.49 g/mol
• Exact Mass: 1992.10
• IUPAC Name: (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
• SMILES: Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1(N)CCCCC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)CC(C)C)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)CC1CCCCC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)CCc1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H]1Cc3ccccc3CN1)c1ccccc21
• InChI: InChI=1S/C24H25N5O2.C24H27N5O2.C23H31N5O2.C21H27N5O2.C20H27N5O2/c1-15-21-22(28-27-15)18-9-4-5-10-20(18)29(24(21)31)12-6-11-25-23(30)19-13-16-7-2-3-8-17(16)14-26-19;1-16-21-22(28-27-16)18-10-5-6-11-20(18)29(24(21)31)15-7-14-26-23(30)19(25)13-12-17-8-3-2-4-9-17;1-15-20-21(27-26-15)17-10-5-6-11-19(17)28(23(20)30)13-7-12-25-22(29)18(24)14-16-8-3-2-4-9-16;1-14-17-18(25-24-14)15-8-3-4-9-16(15)26(19(17)27)13-7-12-23-20(28)21(22)10-5-2-6-11-21;1-12(2)11-15(21)19(26)22-9-6-10-25-16-8-5-4-7-14(16)18-17(20(25)27)13(3)23-24-18/h2-5,7-10,19,26H,6,11-14H2,1H3,(H,25,30)(H,27,28);2-6,8-11,19H,7,12-15,25H2,1H3,(H,26,30)(H,27,28);5-6,10-11,16,18H,2-4,7-9,12-14,24H2,1H3,(H,25,29)(H,26,27);3-4,8-9H,2,5-7,10-13,22H2,1H3,(H,23,28)(H,24,25);4-5,7-8,12,15H,6,9-11,21H2,1-3H3,(H,22,26)(H,23,24)/t2*19-;18-;;15-/m000.0/s1
• InChIKey: KILIQCQFCODGLA-VSADBBDUSA-N
• XLogP: 12.47
• TPSA: 515.01 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1993.49
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 159144009) is (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1(N)CCCCC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)CC(C)C)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)CC1CCCCC1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H](N)CCc1ccccc1)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)[C@@H]1Cc3ccccc3CN1)c1ccccc21.

What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

The InChIKey is KILIQCQFCODGLA-VSADBBDUSA-N. The full InChI is InChI=1S/C24H25N5O2.C24H27N5O2.C23H31N5O2.C21H27N5O2.C20H27N5O2/c1-15-21-22(28-27-15)18-9-4-5-10-20(18)29(24(21)31)12-6-11-25-23(30)19-13-16-7-2-3-8-17(16)14-26-19;1-16-21-22(28-27-16)18-10-5-6-11-20(18)29(24(21)31)15-7-14-26-23(30)19(25)13-12-17-8-3-2-4-9-17;1-15-20-21(27-26-15)17-10-5-6-11-19(17)28(23(20)30)13-7-12-25-22(29)18(24)14-16-8-3-2-4-9-16;1-14-17-18(25-24-14)15-8-3-4-9-16(15)26(19(17)27)13-7-12-23-20(28)21(22)10-5-2-6-11-21;1-12(2)11-15(21)19(26)22-9-6-10-25-16-8-5-4-7-14(16)18-17(20(25)27)13(3)23-24-18/h2-5,7-10,19,26H,6,11-14H2,1H3,(H,25,30)(H,27,28);2-6,8-11,19H,7,12-15,25H2,1H3,(H,26,30)(H,27,28);5-6,10-11,16,18H,2-4,7-9,12-14,24H2,1H3,(H,25,29)(H,26,27);3-4,8-9H,2,5-7,10-13,22H2,1H3,(H,23,28)(H,24,25);4-5,7-8,12,15H,6,9-11,21H2,1-3H3,(H,22,26)(H,23,24)/t2*19-;18-;;15-/m000.0/s1.

What are the key properties of (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

(2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 1993.49 g/mol, XLogP of 12.47, 32 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-cyclohexyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;(2S)-2-amino-4-methyl-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]pentanamide;1-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]cyclohexane-1-carboxamide;(2S)-2-amino-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-phenylbutanamide;(3S)-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 159144009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).