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

C13H11ClN4O — CID 53375181

IUPACN-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H11ClN4O/c1-19-11-5-4-8(7-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyLAOAUOJHEQIHHM-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.36
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53375181) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53375181
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H11ClN4O/c1-19-11-5-4-8(7-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyLAOAUOJHEQIHHM-UHFFFAOYSA-N
XLogP3.36
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743057
N-(4-methoxyphenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-amine
CID 658874
N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308644
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322058
N-[3-chloro-4-(3-fluorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851428
N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851430
N-(3-Chloro-4-(3-chlorophenoxy)phenyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56849558
N-(3-chloro-4-phenoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851290
N-[3-chloro-4-(2-fluorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851427
N-[3-chloro-4-(2-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851429
N-(3-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373662
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373665

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53375181) is N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is COc1ccc(Nc2n[nH]c3cccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is LAOAUOJHEQIHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-11-5-4-8(7-9(11)14)16-13-12-10(17-18-13)3-2-6-15-12/h2-7H,1H3,(H2,16,17,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 274.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53375181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).