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

C23H33N5O — CID 97442661

IUPAC(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC(C)n1c(C(=O)N2CC[C@H](N(C)C)C2)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H33N5O/c1-17(2)28-21-11-12-26(14-18-8-6-5-7-9-18)16-20(21)24-22(28)23(29)27-13-10-19(15-27)25(3)4/h5-9,17,19H,10-16H2,1-4H3/t19-/m0/s1
InChIKeyWSZGDTLVTVEXKN-IBGZPJMESA-N
MW395.55 g/mol
LogP2.80
Rot. Bonds5

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

(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 97442661) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID97442661
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC(C)n1c(C(=O)N2CC[C@H](N(C)C)C2)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H33N5O/c1-17(2)28-21-11-12-26(14-18-8-6-5-7-9-18)16-20(21)24-22(28)23(29)27-13-10-19(15-27)25(3)4/h5-9,17,19H,10-16H2,1-4H3/t19-/m0/s1
InChIKeyWSZGDTLVTVEXKN-IBGZPJMESA-N
XLogP2.80
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 97442663
(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 95141808
N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97407262
5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97442624
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
(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-1-phenyl-1,2,4-triazol-3-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 42692847
5-benzyl-1-methyl-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97442621
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(3S)-3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980847
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 97442661) is (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone is CC(C)n1c(C(=O)N2CC[C@H](N(C)C)C2)nc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is WSZGDTLVTVEXKN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H33N5O/c1-17(2)28-21-11-12-26(14-18-8-6-5-7-9-18)16-20(21)24-22(28)23(29)27-13-10-19(15-27)25(3)4/h5-9,17,19H,10-16H2,1-4H3/t19-/m0/s1.
What are the key properties of (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).