N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C13H11ClN4 — CID 53374000

IUPACN-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESClc1cccc(CNc2n[nH]c3cccnc23)c1
InChIInChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-16-13-12-11(17-18-13)5-2-6-15-12/h1-7H,8H2,(H2,16,17,18)
InChIKeySSLKSUNHZPSNNP-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.22
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53374000) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53374000
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESClc1cccc(CNc2n[nH]c3cccnc23)c1
InChIInChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-16-13-12-11(17-18-13)5-2-6-15-12/h1-7H,8H2,(H2,16,17,18)
InChIKeySSLKSUNHZPSNNP-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53374000) is N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Clc1cccc(CNc2n[nH]c3cccnc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is SSLKSUNHZPSNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-16-13-12-11(17-18-13)5-2-6-15-12/h1-7H,8H2,(H2,16,17,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 258.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53374000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).