2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol

C21H22N6OS — CID 168978404

IUPAC2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
SMILESCSC1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ncc3c2)C1
InChIInChI=1S/C21H22N6OS/c1-12-18-14(10-26(2)25-18)7-17(19(12)28)21-22-8-13-6-15(9-23-20(13)24-21)27-5-4-16(11-27)29-3/h6-10,16,28H,4-5,11H2,1-3H3
InChIKeyNFELGPVUBCBZFH-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.53
Rot. Bonds3

About 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol

2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol (PubChem CID 168978404) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol.

Molecular Properties

Compound Name2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
PubChem CID168978404
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC Name2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
SMILESCSC1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ncc3c2)C1
InChIInChI=1S/C21H22N6OS/c1-12-18-14(10-26(2)25-18)7-17(19(12)28)21-22-8-13-6-15(9-23-20(13)24-21)27-5-4-16(11-27)29-3/h6-10,16,28H,4-5,11H2,1-3H3
InChIKeyNFELGPVUBCBZFH-UHFFFAOYSA-N
XLogP3.53
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
CID 168978903
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
2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978796
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
3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol
CID 170013460
2,7-dimethyl-5-(4-methyl-6-piperazin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978289
5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379
5-[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978839
5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978277
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
CID 168979054
5-[6-[(5R)-3-[(6R)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]-5-methylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-2,7-dimethylindazol-6-ol
CID 170011873

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol?
The IUPAC name of 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol (CID 168978404) is 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol.
What is the SMILES notation for 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol?
The canonical SMILES for 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol is CSC1CCN(c2cnc3nc(-c4cc5cn(C)nc5c(C)c4O)ncc3c2)C1.
What is the InChIKey of 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol?
The InChIKey is NFELGPVUBCBZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-12-18-14(10-26(2)25-18)7-17(19(12)28)21-22-8-13-6-15(9-23-20(13)24-21)27-5-4-16(11-27)29-3/h6-10,16,28H,4-5,11H2,1-3H3.
What are the key properties of 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol?
2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol has a molecular weight of 406.52 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol is sourced from PubChem (CID 168978404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).