N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide

C24H29FN8O2 — CID 168868995

About N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 168868995) has the molecular formula C24H29FN8O2 and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 168868995
• Molecular Formula: C24H29FN8O2
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.24
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)nnn2C)c(F)n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C24H29FN8O2/c1-4-33-17(11-12-26-33)23(34)29-20(19(14-5-6-14)15-7-8-15)24(35)28-18-10-9-16(22(25)27-18)21-13(2)30-31-32(21)3/h9-12,14-15,19-20H,4-8H2,1-3H3,(H,29,34)(H,27,28,35)/t20-/m0/s1
• InChIKey: XBHMGAXJTLDHSU-FQEVSTJZSA-N
• XLogP: 2.71
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (CID 168868995) is N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)nnn2C)c(F)n1)C(C1CC1)C1CC1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

The InChIKey is XBHMGAXJTLDHSU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29FN8O2/c1-4-33-17(11-12-26-33)23(34)29-20(19(14-5-6-14)15-7-8-15)24(35)28-18-10-9-16(22(25)27-18)21-13(2)30-31-32(21)3/h9-12,14-15,19-20H,4-8H2,1-3H3,(H,29,34)(H,27,28,35)/t20-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[5-(3,5-dimethyltriazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 168868995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).