N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide

C27H34FN7O2 — CID 168869093

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

N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide (PubChem CID 168869093) has the molecular formula C27H34FN7O2 and a molecular weight of 507.61 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
• PubChem CID: 168869093
• Molecular Formula: C27H34FN7O2
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.28
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
• SMILES: CCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CC)n[nH]c2C)c(F)n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C27H34FN7O2/c1-4-14-35-20(12-13-29-35)26(36)32-24(23(16-6-7-16)17-8-9-17)27(37)31-21-11-10-18(25(28)30-21)22-15(3)33-34-19(22)5-2/h10-13,16-17,23-24H,4-9,14H2,1-3H3,(H,32,36)(H,33,34)(H,30,31,37)/t24-/m0/s1
• InChIKey: BZMUSNZIFIEOIO-DEOSSOPVSA-N
• XLogP: 4.26
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	4.26
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)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide (CID 168869093) is N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(CC)n[nH]c2C)c(F)n1)C(C1CC1)C1CC1.

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

The InChIKey is BZMUSNZIFIEOIO-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H34FN7O2/c1-4-14-35-20(12-13-29-35)26(36)32-24(23(16-6-7-16)17-8-9-17)27(37)31-21-11-10-18(25(28)30-21)22-15(3)33-34-19(22)5-2/h10-13,16-17,23-24H,4-9,14H2,1-3H3,(H,32,36)(H,33,34)(H,30,31,37)/t24-/m0/s1.

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

N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide has a molecular weight of 507.61 g/mol, XLogP of 4.26, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 168869093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).