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

C28H28FN7O3 — CID 170023856

IUPACN-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2c3cc(F)ccc3OCC23CC3)cn1
InChIInChI=1S/C28H28FN7O3/c1-15-23(16(2)35-34-15)20-6-5-18(13-30-20)32-27(38)25(33-26(37)21-8-11-31-36(21)3)24-19-12-17(29)4-7-22(19)39-14-28(24)9-10-28/h4-8,11-13,24-25H,9-10,14H2,1-3H3,(H,32,38)(H,33,37)(H,34,35)/t24?,25-/m0/s1
InChIKeyUTUSCPRGUYFVIX-BBMPLOMVSA-N
MW529.58 g/mol
LogP3.65
Rot. Bonds6

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

N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 170023856) has the molecular formula C28H28FN7O3 and a molecular weight of 529.58 g/mol. Its IUPAC name is N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID170023856
Molecular FormulaC28H28FN7O3
Molecular Weight529.58 g/mol
Exact Mass529.22
IUPAC NameN-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2c3cc(F)ccc3OCC23CC3)cn1
InChIInChI=1S/C28H28FN7O3/c1-15-23(16(2)35-34-15)20-6-5-18(13-30-20)32-27(38)25(33-26(37)21-8-11-31-36(21)3)24-19-12-17(29)4-7-22(19)39-14-28(24)9-10-28/h4-8,11-13,24-25H,9-10,14H2,1-3H3,(H,32,38)(H,33,37)(H,34,35)/t24?,25-/m0/s1
InChIKeyUTUSCPRGUYFVIX-BBMPLOMVSA-N
XLogP3.65
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.58
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

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
N-[(1S)-1-(6,7-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-(2-methoxyethyl)-1,2-oxazole-4-carboxamide
CID 170024257
[4-[5-[[(2S)-2-(6,7-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-2-pyridinyl]-3,5-dimethylpyrazol-1-yl]methyl dihydrogen phosphate
CID 170024440
N-[(1S)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluoroanilino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 168852093
N-[(1S)-1-(6,7-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[[1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-4-pyridinyl]amino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 168852221
N-[(1S)-1-(2,2-dimethylcyclopropyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 156779419
N-[(1S)-1-(6,7-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 168852227
N-[(1S)-1-(5,8-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 168852163
4-cyclopropyl-N-[(1S)-1-(6,7-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 168852104
3-cyclopropyl-N-[(1S)-1-(6,7-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-3-pyridinyl]amino]-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 168852118
3-cyclopropyl-N-[(1S)-1-(6,7-difluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 168852119
3-cyclopropyl-N-[(1S)-2-[[6-(2,4-dimethyl-1H-pyrrol-3-yl)-3-pyridinyl]amino]-1-(7-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 170021722

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 170023856) is N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2c3cc(F)ccc3OCC23CC3)cn1.
What is the InChIKey of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is UTUSCPRGUYFVIX-BBMPLOMVSA-N. The full InChI is InChI=1S/C28H28FN7O3/c1-15-23(16(2)35-34-15)20-6-5-18(13-30-20)32-27(38)25(33-26(37)21-8-11-31-36(21)3)24-19-12-17(29)4-7-22(19)39-14-28(24)9-10-28/h4-8,11-13,24-25H,9-10,14H2,1-3H3,(H,32,38)(H,33,37)(H,34,35)/t24?,25-/m0/s1.
What are the key properties of N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 529.58 g/mol, XLogP of 3.65, 6 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)-3-pyridinyl]amino]-1-(6-fluorospiro[2,4-dihydrochromene-3,1'-cyclopropane]-4-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 170023856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).