4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine

C23H23N5O — CID 71015108

IUPAC4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine
SMILESNc1n[nH]c2c(CC3CCCN3)cnc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C23H23N5O/c24-23-20-21(15-8-10-19(11-9-15)29-18-6-2-1-3-7-18)26-14-16(22(20)27-28-23)13-17-5-4-12-25-17/h1-3,6-11,14,17,25H,4-5,12-13H2,(H3,24,27,28)
InChIKeyUWKAIKDSJBYZBG-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds5

About 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine

4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine (PubChem CID 71015108) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine
PubChem CID71015108
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine
SMILESNc1n[nH]c2c(CC3CCCN3)cnc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C23H23N5O/c24-23-20-21(15-8-10-19(11-9-15)29-18-6-2-1-3-7-18)26-14-16(22(20)27-28-23)13-17-5-4-12-25-17/h1-3,6-11,14,17,25H,4-5,12-13H2,(H3,24,27,28)
InChIKeyUWKAIKDSJBYZBG-UHFFFAOYSA-N
XLogP4.29
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 90001762
N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide
CID 50997596
7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine
CID 142749831
3-[4-(3,5-difluorophenoxy)phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86714478
1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-2-yl]but-3-en-1-one
CID 175338957
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-(piperidin-2-ylmethyl)aniline
CID 84662844
4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 118649285
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 178016203
4-amino-1-(3-aminocyclohexyl)-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one;hydrochloride
CID 162311103

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine?
The IUPAC name of 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine (CID 71015108) is 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine is Nc1n[nH]c2c(CC3CCCN3)cnc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine?
The InChIKey is UWKAIKDSJBYZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-23-20-21(15-8-10-19(11-9-15)29-18-6-2-1-3-7-18)26-14-16(22(20)27-28-23)13-17-5-4-12-25-17/h1-3,6-11,14,17,25H,4-5,12-13H2,(H3,24,27,28).
What are the key properties of 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine?
4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine has a molecular weight of 385.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 71015108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).