2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol

C21H21N5O — CID 168978796

IUPAC2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
SMILESCc1c(O)c(-c2ccc3cc(N4CCCC4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C21H21N5O/c1-13-19-15(12-25(2)24-19)10-17(20(13)27)18-6-5-14-9-16(11-22-21(14)23-18)26-7-3-4-8-26/h5-6,9-12,27H,3-4,7-8H2,1-2H3
InChIKeyONTPOLCWAQHWII-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.80
Rot. Bonds2

About 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol

2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol (PubChem CID 168978796) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol.

Molecular Properties

Compound Name2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
PubChem CID168978796
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
SMILESCc1c(O)c(-c2ccc3cc(N4CCCC4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C21H21N5O/c1-13-19-15(12-25(2)24-19)10-17(20(13)27)18-6-5-14-9-16(11-22-21(14)23-18)26-7-3-4-8-26/h5-6,9-12,27H,3-4,7-8H2,1-2H3
InChIKeyONTPOLCWAQHWII-UHFFFAOYSA-N
XLogP3.80
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane
CID 168978795
2,7-dimethyl-5-(4-methyl-6-piperazin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978289
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828
5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 170012033
2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methyl-6-piperazin-1-yl-1,8-naphthyridine-4-carboxamide
CID 168978936
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
2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
CID 168978404
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-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978120
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978713
2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol
CID 168979060

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol?
The IUPAC name of 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol (CID 168978796) is 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol.
What is the SMILES notation for 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol?
The canonical SMILES for 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol is Cc1c(O)c(-c2ccc3cc(N4CCCC4)cnc3n2)cc2cn(C)nc12.
What is the InChIKey of 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol?
The InChIKey is ONTPOLCWAQHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-19-15(12-25(2)24-19)10-17(20(13)27)18-6-5-14-9-16(11-22-21(14)23-18)26-7-3-4-8-26/h5-6,9-12,27H,3-4,7-8H2,1-2H3.
What are the key properties of 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol?
2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol has a molecular weight of 359.43 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol is sourced from PubChem (CID 168978796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).