1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide

C24H31F3N4O3 — CID 70969864

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(CC2CC(F)(F)C2)c2c(F)cccc12)C(=O)NC[C@H]1C[C@@H]1CO
InChIInChI=1S/C24H31F3N4O3/c1-23(2,3)20(22(34)28-10-14-7-15(14)12-32)29-21(33)18-16-5-4-6-17(25)19(16)31(30-18)11-13-8-24(26,27)9-13/h4-6,13-15,20,32H,7-12H2,1-3H3,(H,28,34)(H,29,33)/t14-,15-,20?/m1/s1
InChIKeyGRMDWTTVSJBIPQ-YNCRUDOASA-N
MW480.53 g/mol
LogP3.11
Rot. Bonds8

About 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide

1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide (PubChem CID 70969864) has the molecular formula C24H31F3N4O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
PubChem CID70969864
Molecular FormulaC24H31F3N4O3
Molecular Weight480.53 g/mol
Exact Mass480.23
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(CC2CC(F)(F)C2)c2c(F)cccc12)C(=O)NC[C@H]1C[C@@H]1CO
InChIInChI=1S/C24H31F3N4O3/c1-23(2,3)20(22(34)28-10-14-7-15(14)12-32)29-21(33)18-16-5-4-6-17(25)19(16)31(30-18)11-13-8-24(26,27)9-13/h4-6,13-15,20,32H,7-12H2,1-3H3,(H,28,34)(H,29,33)/t14-,15-,20?/m1/s1
InChIKeyGRMDWTTVSJBIPQ-YNCRUDOASA-N
XLogP3.11
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide (CID 70969864) is 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide is CC(C)(C)C(NC(=O)c1nn(CC2CC(F)(F)C2)c2c(F)cccc12)C(=O)NC[C@H]1C[C@@H]1CO.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
The InChIKey is GRMDWTTVSJBIPQ-YNCRUDOASA-N. The full InChI is InChI=1S/C24H31F3N4O3/c1-23(2,3)20(22(34)28-10-14-7-15(14)12-32)29-21(33)18-16-5-4-6-17(25)19(16)31(30-18)11-13-8-24(26,27)9-13/h4-6,13-15,20,32H,7-12H2,1-3H3,(H,28,34)(H,29,33)/t14-,15-,20?/m1/s1.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide?
1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-7-fluoro-N-[1-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide is sourced from PubChem (CID 70969864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).