2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol

C20H19N5O2 — CID 170011837

IUPAC2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol
SMILESCn1cc2cc(-c3ccc4cc(O[C@H]5CCNC5)cnc4n3)c(O)cc2n1
InChIInChI=1S/C20H19N5O2/c1-25-11-13-7-16(19(26)8-18(13)24-25)17-3-2-12-6-15(10-22-20(12)23-17)27-14-4-5-21-9-14/h2-3,6-8,10-11,14,21,26H,4-5,9H2,1H3/t14-/m0/s1
InChIKeySFQWTUQWIBOFSR-AWEZNQCLSA-N
MW361.41 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol

2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol (PubChem CID 170011837) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol.

Molecular Properties

Compound Name2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol
PubChem CID170011837
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol
SMILESCn1cc2cc(-c3ccc4cc(O[C@H]5CCNC5)cnc4n3)c(O)cc2n1
InChIInChI=1S/C20H19N5O2/c1-25-11-13-7-16(19(26)8-18(13)24-25)17-3-2-12-6-15(10-22-20(12)23-17)27-14-4-5-21-9-14/h2-3,6-8,10-11,14,21,26H,4-5,9H2,1H3/t14-/m0/s1
InChIKeySFQWTUQWIBOFSR-AWEZNQCLSA-N
XLogP2.63
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-(6-piperazin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
CID 162433567
5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 170012675
5-[6-(1,7-diazaspiro[3.5]nonan-1-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433370
5-[6-(1-ethylpiperidin-4-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433617
2-(6-pyrrolidin-3-yloxypyridazin-3-yl)phenol
CID 175959585
2-methyl-5-pyrrolidin-3-yloxypyridine;dihydrochloride
CID 86775669
6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol
CID 168977895
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433822
1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
CID 104939868
1-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]oxypyrazole
CID 104939867
sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
CID 168977232
5-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol
CID 168977488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol?
The IUPAC name of 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol (CID 170011837) is 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol.
What is the SMILES notation for 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol?
The canonical SMILES for 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol is Cn1cc2cc(-c3ccc4cc(O[C@H]5CCNC5)cnc4n3)c(O)cc2n1.
What is the InChIKey of 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol?
The InChIKey is SFQWTUQWIBOFSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-11-13-7-16(19(26)8-18(13)24-25)17-3-2-12-6-15(10-22-20(12)23-17)27-14-4-5-21-9-14/h2-3,6-8,10-11,14,21,26H,4-5,9H2,1H3/t14-/m0/s1.
What are the key properties of 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol?
2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol has a molecular weight of 361.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol is sourced from PubChem (CID 170011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).