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

C19H15ClN4O — CID 53374407

IUPACN-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESClc1cc(Nc2n[nH]c3cccnc23)ccc1OCc1ccccc1
InChIInChI=1S/C19H15ClN4O/c20-15-11-14(22-19-18-16(23-24-19)7-4-10-21-18)8-9-17(15)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24)
InChIKeyRVEIPERWACOAFV-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.93
Rot. Bonds5

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

N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53374407) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53374407
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC NameN-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESClc1cc(Nc2n[nH]c3cccnc23)ccc1OCc1ccccc1
InChIInChI=1S/C19H15ClN4O/c20-15-11-14(22-19-18-16(23-24-19)7-4-10-21-18)8-9-17(15)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24)
InChIKeyRVEIPERWACOAFV-UHFFFAOYSA-N
XLogP4.93
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 11178756
[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11524582
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11590799
(4-Benzyloxy-3-chloro-phenyl)-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11625514
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11684098
N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-((4-aminopiperidin-1-yl)methyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 11698674
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055240
5-((1,4-diazepan-1-yl)methyl)-N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 22055262
2-[4-[3-chloro-4-(1H-indazol-4-yloxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 25026281
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44440837
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53374407) is N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Clc1cc(Nc2n[nH]c3cccnc23)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is RVEIPERWACOAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-15-11-14(22-19-18-16(23-24-19)7-4-10-21-18)8-9-17(15)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24).
What are the key properties of N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 350.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-phenylmethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53374407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).