2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride

C21H24ClN7O — CID 168978903

IUPAC2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
SMILESCN[C@@H]1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ncc3c2)C1.Cl
InChIInChI=1S/C21H23N7O.ClH/c1-12-18-14(10-27(3)26-18)7-17(19(12)29)21-23-8-13-6-16(9-24-20(13)25-21)28-5-4-15(11-28)22-2;/h6-10,15,22,29H,4-5,11H2,1-3H3;1H/t15-;/m1./s1
InChIKeyMOLBUGVONCROOR-XFULWGLBSA-N
MW425.92 g/mol
LogP2.81
Rot. Bonds3

About 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride

2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride (PubChem CID 168978903) has the molecular formula C21H24ClN7O and a molecular weight of 425.92 g/mol. Its IUPAC name is 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride.

Molecular Properties

Compound Name2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
PubChem CID168978903
Molecular FormulaC21H24ClN7O
Molecular Weight425.92 g/mol
Exact Mass425.17
IUPAC Name2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
SMILESCN[C@@H]1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ncc3c2)C1.Cl
InChIInChI=1S/C21H23N7O.ClH/c1-12-18-14(10-27(3)26-18)7-17(19(12)29)21-23-8-13-6-16(9-24-20(13)25-21)28-5-4-15(11-28)22-2;/h6-10,15,22,29H,4-5,11H2,1-3H3;1H/t15-;/m1./s1
InChIKeyMOLBUGVONCROOR-XFULWGLBSA-N
XLogP2.81
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
CID 168978404
3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol
CID 170013460
5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978277
2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978796
tert-butyl N-[(3R)-1-[2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 168978554
sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane
CID 168978795
2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
CID 168977057
5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol
CID 168977475
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576
5-[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978839
5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379
2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
CID 168977496

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride?
The IUPAC name of 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride (CID 168978903) is 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride.
What is the SMILES notation for 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride?
The canonical SMILES for 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride is CN[C@@H]1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ncc3c2)C1.Cl.
What is the InChIKey of 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride?
The InChIKey is MOLBUGVONCROOR-XFULWGLBSA-N. The full InChI is InChI=1S/C21H23N7O.ClH/c1-12-18-14(10-27(3)26-18)7-17(19(12)29)21-23-8-13-6-16(9-24-20(13)25-21)28-5-4-15(11-28)22-2;/h6-10,15,22,29H,4-5,11H2,1-3H3;1H/t15-;/m1./s1.
What are the key properties of 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride?
2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride is sourced from PubChem (CID 168978903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).