1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C22H20N6 — CID 137114481

IUPAC1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C22H20N6/c1-28(2)13-14-9-16(12-23-11-14)18-7-8-19-21(25-18)22(27-26-19)20-10-15-5-3-4-6-17(15)24-20/h3-12,24H,13H2,1-2H3,(H,26,27)
InChIKeyCUELKFJGZYVPKF-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.23
Rot. Bonds4

About 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 137114481) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID137114481
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C22H20N6/c1-28(2)13-14-9-16(12-23-11-14)18-7-8-19-21(25-18)22(27-26-19)20-10-15-5-3-4-6-17(15)24-20/h3-12,24H,13H2,1-2H3,(H,26,27)
InChIKeyCUELKFJGZYVPKF-UHFFFAOYSA-N
XLogP4.23
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137115164
N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137114695
N,N-dimethyl-1-[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137114684
N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137110353
N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137103221
1-[5-[3-[4-[(E)-1-(2-fluorophenyl)prop-1-enyl]-1H-pyrrol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137033174
1-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137038490
1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137087267
N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137312159
1-[5-[2-[5-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137088783
N,N-dimethyl-1-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137113580
2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137488911

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 137114481) is 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3n2)c1.
What is the InChIKey of 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is CUELKFJGZYVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-28(2)13-14-9-16(12-23-11-14)18-7-8-19-21(25-18)22(27-26-19)20-10-15-5-3-4-6-17(15)24-20/h3-12,24H,13H2,1-2H3,(H,26,27).
What are the key properties of 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 368.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137114481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).