N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide

C25H29ClN6O3 — CID 166889128

About N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 166889128) has the molecular formula C25H29ClN6O3 and a molecular weight of 497.00 g/mol. Its IUPAC name is N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 166889128
• Molecular Formula: C25H29ClN6O3
• Molecular Weight: 497.00 g/mol
• Exact Mass: 496.20
• IUPAC Name: N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)n[nH]c2C)c(Cl)n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C25H29ClN6O3/c1-4-18-17(11-35-32-18)24(33)29-22(21(14-5-6-14)15-7-8-15)25(34)28-19-10-9-16(23(26)27-19)20-12(2)30-31-13(20)3/h9-11,14-15,21-22H,4-8H2,1-3H3,(H,29,33)(H,30,31)(H,27,28,34)/t22-/m0/s1
• InChIKey: BAWUSYOIZMPUNV-QFIPXVFZSA-N
• XLogP: 4.47
• TPSA: 125.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.00
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 166889128) is N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)n[nH]c2C)c(Cl)n1)C(C1CC1)C1CC1.

What is the InChIKey of N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

The InChIKey is BAWUSYOIZMPUNV-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29ClN6O3/c1-4-18-17(11-35-32-18)24(33)29-22(21(14-5-6-14)15-7-8-15)25(34)28-19-10-9-16(23(26)27-19)20-12(2)30-31-13(20)3/h9-11,14-15,21-22H,4-8H2,1-3H3,(H,29,33)(H,30,31)(H,27,28,34)/t22-/m0/s1.

What are the key properties of N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 497.00 g/mol, XLogP of 4.47, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[6-chloro-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166889128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).