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

C13H10ClFN4 — CID 53374001

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1ccc(CNc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H10ClFN4/c14-9-6-8(3-4-10(9)15)7-17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19)
InChIKeyRBRTYAMQYDHHJU-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.36
Rot. Bonds3

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

N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53374001) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53374001
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1ccc(CNc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H10ClFN4/c14-9-6-8(3-4-10(9)15)7-17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19)
InChIKeyRBRTYAMQYDHHJU-UHFFFAOYSA-N
XLogP3.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53374001) is N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Fc1ccc(CNc2n[nH]c3cccnc23)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is RBRTYAMQYDHHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c14-9-6-8(3-4-10(9)15)7-17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 276.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53374001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).