N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C18H18N6 — CID 134192202

IUPACN-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1cn(C2CCC2)c2ncc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C18H18N6/c1-11-10-24(13-4-2-5-13)18-14(11)8-12(9-20-18)21-17-16-15(22-23-17)6-3-7-19-16/h3,6-10,13H,2,4-5H2,1H3,(H2,21,22,23)
InChIKeyABZOWFNRBBJTFI-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.08
Rot. Bonds3

About N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192202) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192202
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC NameN-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1cn(C2CCC2)c2ncc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C18H18N6/c1-11-10-24(13-4-2-5-13)18-14(11)8-12(9-20-18)21-17-16-15(22-23-17)6-3-7-19-16/h3,6-10,13H,2,4-5H2,1H3,(H2,21,22,23)
InChIKeyABZOWFNRBBJTFI-UHFFFAOYSA-N
XLogP4.08
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192202) is N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Cc1cn(C2CCC2)c2ncc(Nc3n[nH]c4cccnc34)cc12.
What is the InChIKey of N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is ABZOWFNRBBJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-11-10-24(13-4-2-5-13)18-14(11)8-12(9-20-18)21-17-16-15(22-23-17)6-3-7-19-16/h3,6-10,13H,2,4-5H2,1H3,(H2,21,22,23).
What are the key properties of N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 318.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).