N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C31H37N5O3 — CID 177368818

About N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368818) has the molecular formula C31H37N5O3 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 177368818
• Molecular Formula: C31H37N5O3
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.29
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1ccc(C2CCc3cc(NC(=O)[C@@H](NC(=O)c4ccnn4C(C)C)C(C4CC4)C4CC4)ccc32)c(=O)[nH]1
• InChI: InChI=1S/C31H37N5O3/c1-17(2)36-26(14-15-32-36)30(38)35-28(27(19-5-6-19)20-7-8-20)31(39)34-22-10-13-23-21(16-22)9-12-24(23)25-11-4-18(3)33-29(25)37/h4,10-11,13-17,19-20,24,27-28H,5-9,12H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t24?,28-/m0/s1
• InChIKey: ONZJKOBNWUOAIS-AZKKKJBWSA-N
• XLogP: 4.71
• TPSA: 108.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368818) is N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1ccc(C2CCc3cc(NC(=O)[C@@H](NC(=O)c4ccnn4C(C)C)C(C4CC4)C4CC4)ccc32)c(=O)[nH]1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is ONZJKOBNWUOAIS-AZKKKJBWSA-N. The full InChI is InChI=1S/C31H37N5O3/c1-17(2)36-26(14-15-32-36)30(38)35-28(27(19-5-6-19)20-7-8-20)31(39)34-22-10-13-23-21(16-22)9-12-24(23)25-11-4-18(3)33-29(25)37/h4,10-11,13-17,19-20,24,27-28H,5-9,12H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t24?,28-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 527.67 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).