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

C29H26F3N7O4 — CID 168852104

About 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

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 (PubChem CID 168852104) has the molecular formula C29H26F3N7O4 and a molecular weight of 593.57 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 168852104
• Molecular Formula: C29H26F3N7O4
• Molecular Weight: 593.57 g/mol
• Exact Mass: 593.20
• IUPAC Name: 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
• SMILES: Cc1n[nH]c(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2nonc2C2CC2)C2c3cc(F)c(F)cc3OCC23CC3)cc1F
• InChI: InChI=1S/C29H26F3N7O4/c1-12-21(13(2)37-36-12)24-19(32)7-15(10-33-24)34-27(40)25(35-28(41)26-23(14-3-4-14)38-43-39-26)22-16-8-17(30)18(31)9-20(16)42-11-29(22)5-6-29/h7-10,14,22,25H,3-6,11H2,1-2H3,(H,34,40)(H,35,41)(H,36,37)/t22?,25-/m0/s1
• InChIKey: MWWBCKVTUSXVPV-TUXUZCGSSA-N
• XLogP: 4.46
• TPSA: 147.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.57
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1n[nH]c(C)c1-c1ncc(NC(=O)[C@@H](NC(=O)c2nonc2C2CC2)C2c3cc(F)c(F)cc3OCC23CC3)cc1F.

What is the InChIKey of 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?

The InChIKey is MWWBCKVTUSXVPV-TUXUZCGSSA-N. The full InChI is InChI=1S/C29H26F3N7O4/c1-12-21(13(2)37-36-12)24-19(32)7-15(10-33-24)34-27(40)25(35-28(41)26-23(14-3-4-14)38-43-39-26)22-16-8-17(30)18(31)9-20(16)42-11-29(22)5-6-29/h7-10,14,22,25H,3-6,11H2,1-2H3,(H,34,40)(H,35,41)(H,36,37)/t22?,25-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 593.57 g/mol, XLogP of 4.46, 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)-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 is sourced from PubChem (CID 168852104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).