[3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone

C29H25N5O3 — CID 154272317

IUPAC[3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1nn(-c2cccc(C(=O)N3CCOCC3)c2)c2ccnc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C29H25N5O3/c30-28-26-25(34(32-28)22-6-4-5-21(19-22)29(35)33-15-17-36-18-16-33)13-14-31-27(26)20-9-11-24(12-10-20)37-23-7-2-1-3-8-23/h1-14,19H,15-18H2,(H2,30,32)
InChIKeyBCTMASNXUKEWRS-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.93
Rot. Bonds5

About [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone

[3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 154272317) has the molecular formula C29H25N5O3 and a molecular weight of 491.55 g/mol. Its IUPAC name is [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID154272317
Molecular FormulaC29H25N5O3
Molecular Weight491.55 g/mol
Exact Mass491.20
IUPAC Name[3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1nn(-c2cccc(C(=O)N3CCOCC3)c2)c2ccnc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C29H25N5O3/c30-28-26-25(34(32-28)22-6-4-5-21(19-22)29(35)33-15-17-36-18-16-33)13-14-31-27(26)20-9-11-24(12-10-20)37-23-7-2-1-3-8-23/h1-14,19H,15-18H2,(H2,30,32)
InChIKeyBCTMASNXUKEWRS-UHFFFAOYSA-N
XLogP4.93
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
CID 56993724
N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide
CID 68823912
[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
CID 56921253
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077
morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 47076761
[3-[4-(cyclopentylamino)phenoxy]phenyl]-morpholin-4-ylmethanone
CID 177024710
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138393

Frequently Asked Questions

What is the IUPAC name of [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone (CID 154272317) is [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone is Nc1nn(-c2cccc(C(=O)N3CCOCC3)c2)c2ccnc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BCTMASNXUKEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3/c30-28-26-25(34(32-28)22-6-4-5-21(19-22)29(35)33-15-17-36-18-16-33)13-14-31-27(26)20-9-11-24(12-10-20)37-23-7-2-1-3-8-23/h1-14,19H,15-18H2,(H2,30,32).
What are the key properties of [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 491.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 154272317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).