[(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

C24H35N5O — CID 97361571

IUPAC[(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
SMILESCC(C)N1CCN(C(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)CC1
InChIInChI=1S/C24H35N5O/c1-18(2)26-12-14-27(15-13-26)24(30)23-22-21(25-17-29(22)19(3)4)10-11-28(23)16-20-8-6-5-7-9-20/h5-9,17-19,23H,10-16H2,1-4H3/t23-/m0/s1
InChIKeyXJTZJYYFGGDVBM-QHCPKHFHSA-N
MW409.58 g/mol
LogP3.12
Rot. Bonds5

About [(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

[(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 (PubChem CID 97361571) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID97361571
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name[(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
SMILESCC(C)N1CCN(C(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)CC1
InChIInChI=1S/C24H35N5O/c1-18(2)26-12-14-27(15-13-26)24(30)23-22-21(25-17-29(22)19(3)4)10-11-28(23)16-20-8-6-5-7-9-20/h5-9,17-19,23H,10-16H2,1-4H3/t23-/m0/s1
InChIKeyXJTZJYYFGGDVBM-QHCPKHFHSA-N
XLogP3.12
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(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 with MolForge

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Related Compounds

(5-benzyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 134075343
5-benzyl-N-(2,3-dimethylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131660347
[(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
5-benzyl-N-(3-chloro-4-methylphenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131643924
5-benzyl-N-(2,4-difluorophenyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131642650
5-benzyl-N-(3-morpholin-4-ylpropyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131660694
(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
[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
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-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442688
1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone
CID 134690167
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 95827904

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)N1CCN(C(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)CC1.
What is the InChIKey of [(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?
The InChIKey is XJTZJYYFGGDVBM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H35N5O/c1-18(2)26-12-14-27(15-13-26)24(30)23-22-21(25-17-29(22)19(3)4)10-11-28(23)16-20-8-6-5-7-9-20/h5-9,17-19,23H,10-16H2,1-4H3/t23-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 409.58 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 97361571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).