4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide

C29H27F2N7O4 — CID 168852098

IUPAC4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2nonc2C2CC2)C2c3ccc(F)cc3OCC23CC3)cc1F
InChIInChI=1S/C29H27F2N7O4/c1-13-21(14(2)36-35-13)24-19(31)10-17(11-32-24)33-27(39)25(34-28(40)26-23(15-3-4-15)37-42-38-26)22-18-6-5-16(30)9-20(18)41-12-29(22)7-8-29/h5-6,9-11,15,22,25H,3-4,7-8,12H2,1-2H3,(H,33,39)(H,34,40)(H,35,36)/t22?,25-/m0/s1
InChIKeyXWTUPZOSIVUYEA-TUXUZCGSSA-N
MW575.58 g/mol
LogP4.32
Rot. Bonds7

About 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide

4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 168852098) has the molecular formula C29H27F2N7O4 and a molecular weight of 575.58 g/mol. Its IUPAC name is 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide
PubChem CID168852098
Molecular FormulaC29H27F2N7O4
Molecular Weight575.58 g/mol
Exact Mass575.21
IUPAC Name4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2nonc2C2CC2)C2c3ccc(F)cc3OCC23CC3)cc1F
InChIInChI=1S/C29H27F2N7O4/c1-13-21(14(2)36-35-13)24-19(31)10-17(11-32-24)33-27(39)25(34-28(40)26-23(15-3-4-15)37-42-38-26)22-18-6-5-16(30)9-20(18)41-12-29(22)7-8-29/h5-6,9-11,15,22,25H,3-4,7-8,12H2,1-2H3,(H,33,39)(H,34,40)(H,35,36)/t22?,25-/m0/s1
InChIKeyXWTUPZOSIVUYEA-TUXUZCGSSA-N
XLogP4.32
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.58
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide (CID 168852098) is 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide is Cc1n[nH]c(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2nonc2C2CC2)C2c3ccc(F)cc3OCC23CC3)cc1F.
What is the InChIKey of 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is XWTUPZOSIVUYEA-TUXUZCGSSA-N. The full InChI is InChI=1S/C29H27F2N7O4/c1-13-21(14(2)36-35-13)24-19(31)10-17(11-32-24)33-27(39)25(34-28(40)26-23(15-3-4-15)37-42-38-26)22-18-6-5-16(30)9-20(18)41-12-29(22)7-8-29/h5-6,9-11,15,22,25H,3-4,7-8,12H2,1-2H3,(H,33,39)(H,34,40)(H,35,36)/t22?,25-/m0/s1.
What are the key properties of 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide?
4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 575.58 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-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]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 168852098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).