[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone

C22H25N5O2 — CID 155493252

IUPAC[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2n1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H25N5O2/c28-22(18-9-8-17-14-23-25-21(17)24-18)27-12-13-29-19(15-26-10-4-5-11-26)20(27)16-6-2-1-3-7-16/h1-3,6-9,14,19-20H,4-5,10-13,15H2,(H,23,24,25)/t19-,20-/m0/s1
InChIKeyFYXVIGRNQRGVFN-PMACEKPBSA-N
MW391.48 g/mol
LogP2.64
Rot. Bonds4

About [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone

[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone (PubChem CID 155493252) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
PubChem CID155493252
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2n1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H25N5O2/c28-22(18-9-8-17-14-23-25-21(17)24-18)27-12-13-29-19(15-26-10-4-5-11-26)20(27)16-6-2-1-3-7-16/h1-3,6-9,14,19-20H,4-5,10-13,15H2,(H,23,24,25)/t19-,20-/m0/s1
InChIKeyFYXVIGRNQRGVFN-PMACEKPBSA-N
XLogP2.64
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone 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

1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505567
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505780
3-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyrazin-2-one
CID 155502177
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760
[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]urea
CID 155493453
2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940011
(3-chloro-4-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499818
[4-(2-aminoethyl)phenyl]-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155498735
6-methyl-4-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 155507255
(4-chloro-2-fluorophenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155501310
(4-hydroxy-2-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155495519
6-ethyl-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 155495404

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
The IUPAC name of [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone (CID 155493252) is [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone.
What is the SMILES notation for [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
The canonical SMILES for [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone is O=C(c1ccc2cn[nH]c2n1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
The InChIKey is FYXVIGRNQRGVFN-PMACEKPBSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22(18-9-8-17-14-23-25-21(17)24-18)27-12-13-29-19(15-26-10-4-5-11-26)20(27)16-6-2-1-3-7-16/h1-3,6-9,14,19-20H,4-5,10-13,15H2,(H,23,24,25)/t19-,20-/m0/s1.
What are the key properties of [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone?
[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone is sourced from PubChem (CID 155493252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).