5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol

C23H24N6O — CID 162433627

IUPAC5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3ccc4nc(N5CCC(NC6CC6)C5)ccc4n3)c(O)cc2n1
InChIInChI=1S/C23H24N6O/c1-28-12-14-10-17(22(30)11-21(14)27-28)18-4-5-20-19(25-18)6-7-23(26-20)29-9-8-16(13-29)24-15-2-3-15/h4-7,10-12,15-16,24,30H,2-3,8-9,13H2,1H3
InChIKeyIBBWGABRYGKQLW-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.22
Rot. Bonds4

About 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol

5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol (PubChem CID 162433627) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
PubChem CID162433627
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3ccc4nc(N5CCC(NC6CC6)C5)ccc4n3)c(O)cc2n1
InChIInChI=1S/C23H24N6O/c1-28-12-14-10-17(22(30)11-21(14)27-28)18-4-5-20-19(25-18)6-7-23(26-20)29-9-8-16(13-29)24-15-2-3-15/h4-7,10-12,15-16,24,30H,2-3,8-9,13H2,1H3
InChIKeyIBBWGABRYGKQLW-UHFFFAOYSA-N
XLogP3.22
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433822
2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
CID 162433630
6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433586
6-[6-[(3S)-3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
CID 162433802
5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-methylindazol-6-ol
CID 167503461
2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
CID 168977496
2-methyl-5-(6-piperazin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
CID 162433567
sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
CID 168977232
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 162433576
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol
CID 168977780
5-[6-(1,7-diazaspiro[3.5]nonan-1-yl)-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433370
N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
CID 162433469

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
The IUPAC name of 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol (CID 162433627) is 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol.
What is the SMILES notation for 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
The canonical SMILES for 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol is Cn1cc2cc(-c3ccc4nc(N5CCC(NC6CC6)C5)ccc4n3)c(O)cc2n1.
What is the InChIKey of 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
The InChIKey is IBBWGABRYGKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-28-12-14-10-17(22(30)11-21(14)27-28)18-4-5-20-19(25-18)6-7-23(26-20)29-9-8-16(13-29)24-15-2-3-15/h4-7,10-12,15-16,24,30H,2-3,8-9,13H2,1H3.
What are the key properties of 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol?
5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol has a molecular weight of 400.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol is sourced from PubChem (CID 162433627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).