N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine

C19H18N6 — CID 134191546

IUPACN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(N5CCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C19H18N6/c1-2-11-25(10-1)19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17/h3-9,12H,1-2,10-11H2,(H2,22,23,24)
InChIKeyYWXCJCGOXOGENV-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.85
Rot. Bonds3

About N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine (PubChem CID 134191546) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
PubChem CID134191546
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine
SMILESc1cnc2c(Nc3ccc4c(N5CCCC5)nccc4c3)n[nH]c2c1
InChIInChI=1S/C19H18N6/c1-2-11-25(10-1)19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17/h3-9,12H,1-2,10-11H2,(H2,22,23,24)
InChIKeyYWXCJCGOXOGENV-UHFFFAOYSA-N
XLogP3.85
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Ldn-212854
CID 60182388
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
Vlx-600
CID 6410104
Izencitinib
CID 124090478
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
CID 44561737
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)-N~2~-[(1s)-1-(1h-Pyrrolo[3,2-B]pyridin-5-Yl)ethyl]pyrimidine-2,4-Diamine
CID 71611421
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
The IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine (CID 134191546) is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine.
What is the SMILES notation for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
The canonical SMILES for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine is c1cnc2c(Nc3ccc4c(N5CCCC5)nccc4c3)n[nH]c2c1.
What is the InChIKey of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
The InChIKey is YWXCJCGOXOGENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-11-25(10-1)19-15-6-5-14(12-13(15)7-9-21-19)22-18-17-16(23-24-18)4-3-8-20-17/h3-9,12H,1-2,10-11H2,(H2,22,23,24).
What are the key properties of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine?
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine has a molecular weight of 330.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrrolidin-1-ylisoquinolin-6-amine is sourced from PubChem (CID 134191546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).