[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone

C21H29N5O2 — CID 97442781

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESCC(C)n1cnc2c1[C@@H](C(=O)N1CCC[C@H](O)C1)N(Cc1cccnc1)CC2
InChIInChI=1S/C21H29N5O2/c1-15(2)26-14-23-18-7-10-24(12-16-5-3-8-22-11-16)20(19(18)26)21(28)25-9-4-6-17(27)13-25/h3,5,8,11,14-15,17,20,27H,4,6-7,9-10,12-13H2,1-2H3/t17-,20-/m0/s1
InChIKeyUJXGUNMNUZJEEQ-PXNSSMCTSA-N
MW383.50 g/mol
LogP1.94
Rot. Bonds4

About [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone

[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone (PubChem CID 97442781) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone
PubChem CID97442781
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone
SMILESCC(C)n1cnc2c1[C@@H](C(=O)N1CCC[C@H](O)C1)N(Cc1cccnc1)CC2
InChIInChI=1S/C21H29N5O2/c1-15(2)26-14-23-18-7-10-24(12-16-5-3-8-22-11-16)20(19(18)26)21(28)25-9-4-6-17(27)13-25/h3,5,8,11,14-15,17,20,27H,4,6-7,9-10,12-13H2,1-2H3/t17-,20-/m0/s1
InChIKeyUJXGUNMNUZJEEQ-PXNSSMCTSA-N
XLogP1.94
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-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

[(4S)-5-benzyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 97361571
[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 100679012
(3-hydroxypiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 119032652
2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one
CID 134689351
(4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442800
(4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97361522
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805
5-benzyl-N-(2,4-difluorophenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131642650
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
5-benzyl-N-(3-morpholin-4-ylpropyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131660694
3-cyclopentyl-2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 136525753
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone (CID 97442781) is [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone is CC(C)n1cnc2c1[C@@H](C(=O)N1CCC[C@H](O)C1)N(Cc1cccnc1)CC2.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone?
The InChIKey is UJXGUNMNUZJEEQ-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)26-14-23-18-7-10-24(12-16-5-3-8-22-11-16)20(19(18)26)21(28)25-9-4-6-17(27)13-25/h3,5,8,11,14-15,17,20,27H,4,6-7,9-10,12-13H2,1-2H3/t17-,20-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone?
[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone is sourced from PubChem (CID 97442781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).