N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C24H29ClN8O3 — CID 168935661

About N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 168935661) has the molecular formula C24H29ClN8O3 and a molecular weight of 513.00 g/mol. Its IUPAC name is N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 168935661
• Molecular Formula: C24H29ClN8O3
• Molecular Weight: 513.00 g/mol
• Exact Mass: 512.21
• IUPAC Name: N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1cnn(Cc2cc(Cl)n[nH]c2=O)c1)C(C1CC1)C1CC1
• InChI: InChI=1S/C24H29ClN8O3/c1-13(2)33-18(7-8-26-33)23(35)29-21(20(14-3-4-14)15-5-6-15)24(36)28-17-10-27-32(12-17)11-16-9-19(25)30-31-22(16)34/h7-10,12-15,20-21H,3-6,11H2,1-2H3,(H,28,36)(H,29,35)(H,31,34)/t21-/m0/s1
• InChIKey: DZNLJRZVBZQGFL-NRFANRHFSA-N
• XLogP: 2.62
• TPSA: 139.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.00
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 168935661) is N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1cnn(Cc2cc(Cl)n[nH]c2=O)c1)C(C1CC1)C1CC1.

What is the InChIKey of N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is DZNLJRZVBZQGFL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29ClN8O3/c1-13(2)33-18(7-8-26-33)23(35)29-21(20(14-3-4-14)15-5-6-15)24(36)28-17-10-27-32(12-17)11-16-9-19(25)30-31-22(16)34/h7-10,12-15,20-21H,3-6,11H2,1-2H3,(H,28,36)(H,29,35)(H,31,34)/t21-/m0/s1.

What are the key properties of N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 513.00 g/mol, XLogP of 2.62, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 168935661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).