N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide

C30H31F2N7O3 — CID 168852062

About N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 168852062) has the molecular formula C30H31F2N7O3 and a molecular weight of 575.62 g/mol. Its IUPAC name is N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 168852062
• Molecular Formula: C30H31F2N7O3
• Molecular Weight: 575.62 g/mol
• Exact Mass: 575.25
• IUPAC Name: N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2c3ccc(F)cc3OCC23CC3)cc1F
• InChI: InChI=1S/C30H31F2N7O3/c1-15(2)39-22(7-10-34-39)28(40)36-27(25-20-6-5-18(31)11-23(20)42-14-30(25)8-9-30)29(41)35-19-12-21(32)26(33-13-19)24-16(3)37-38-17(24)4/h5-7,10-13,15,25,27H,8-9,14H2,1-4H3,(H,35,41)(H,36,40)(H,37,38)/t25?,27-/m0/s1
• InChIKey: ZAXGDXJAOAPUJH-GPNIZQGCSA-N
• XLogP: 4.84
• TPSA: 126.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.62
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 168852062) is N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1n[nH]c(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2c3ccc(F)cc3OCC23CC3)cc1F.

What is the InChIKey of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is ZAXGDXJAOAPUJH-GPNIZQGCSA-N. The full InChI is InChI=1S/C30H31F2N7O3/c1-15(2)39-22(7-10-34-39)28(40)36-27(25-20-6-5-18(31)11-23(20)42-14-30(25)8-9-30)29(41)35-19-12-21(32)26(33-13-19)24-16(3)37-38-17(24)4/h5-7,10-13,15,25,27H,8-9,14H2,1-4H3,(H,35,41)(H,36,40)(H,37,38)/t25?,27-/m0/s1.

What are the key properties of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 575.62 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 168852062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).