5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol

C24H25FN6O — CID 168977475

IUPAC5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol
SMILESCN[C@H]1CCN(c2ccc3nc(-c4cc5cn(C)nc5c(F)c4O)nc(C4CC4)c3c2)C1
InChIInChI=1S/C24H25FN6O/c1-26-15-7-8-31(12-15)16-5-6-19-17(10-16)21(13-3-4-13)28-24(27-19)18-9-14-11-30(2)29-22(14)20(25)23(18)32/h5-6,9-11,13,15,26,32H,3-4,7-8,12H2,1-2H3/t15-/m0/s1
InChIKeyYNDAGSHECZGRPS-HNNXBMFYSA-N
MW432.50 g/mol
LogP3.70
Rot. Bonds4

About 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol

5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol (PubChem CID 168977475) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol.

Molecular Properties

Compound Name5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol
PubChem CID168977475
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol
SMILESCN[C@H]1CCN(c2ccc3nc(-c4cc5cn(C)nc5c(F)c4O)nc(C4CC4)c3c2)C1
InChIInChI=1S/C24H25FN6O/c1-26-15-7-8-31(12-15)16-5-6-19-17(10-16)21(13-3-4-13)28-24(27-19)18-9-14-11-30(2)29-22(14)20(25)23(18)32/h5-6,9-11,13,15,26,32H,3-4,7-8,12H2,1-2H3/t15-/m0/s1
InChIKeyYNDAGSHECZGRPS-HNNXBMFYSA-N
XLogP3.70
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol with MolForge

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Related Compounds

7-fluoro-2-methyl-5-[4-(methylamino)-6-piperazin-1-ylquinazolin-2-yl]indazol-6-ol
CID 177078744
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168978177
5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977762
6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carbonitrile
CID 168977109
5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977838
6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168977133
2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
CID 168978903
5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol
CID 170011125
5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol
CID 168978359
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576
cyclobutane;7-fluoro-2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol;methanamine
CID 168977767
7-fluoro-5-[6-(3-hydroxypiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 168976923

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol?
The IUPAC name of 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol (CID 168977475) is 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol.
What is the SMILES notation for 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol?
The canonical SMILES for 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol is CN[C@H]1CCN(c2ccc3nc(-c4cc5cn(C)nc5c(F)c4O)nc(C4CC4)c3c2)C1.
What is the InChIKey of 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol?
The InChIKey is YNDAGSHECZGRPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-26-15-7-8-31(12-15)16-5-6-19-17(10-16)21(13-3-4-13)28-24(27-19)18-9-14-11-30(2)29-22(14)20(25)23(18)32/h5-6,9-11,13,15,26,32H,3-4,7-8,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol?
5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol has a molecular weight of 432.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol is sourced from PubChem (CID 168977475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).