(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone

C21H26N4O — CID 97185452

IUPAC(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
SMILESO=C([C@@H](c1ccccc1)N1CCCC1)N1CCc2c(ncn2C2CC2)C1
InChIInChI=1S/C21H26N4O/c26-21(20(23-11-4-5-12-23)16-6-2-1-3-7-16)24-13-10-19-18(14-24)22-15-25(19)17-8-9-17/h1-3,6-7,15,17,20H,4-5,8-14H2/t20-/m1/s1
InChIKeyATCQFKUJDKOAHY-HXUWFJFHSA-N
MW350.47 g/mol
LogP2.94
Rot. Bonds4

About (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone

(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone (PubChem CID 97185452) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
PubChem CID97185452
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
SMILESO=C([C@@H](c1ccccc1)N1CCCC1)N1CCc2c(ncn2C2CC2)C1
InChIInChI=1S/C21H26N4O/c26-21(20(23-11-4-5-12-23)16-6-2-1-3-7-16)24-13-10-19-18(14-24)22-15-25(19)17-8-9-17/h1-3,6-7,15,17,20H,4-5,8-14H2/t20-/m1/s1
InChIKeyATCQFKUJDKOAHY-HXUWFJFHSA-N
XLogP2.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 97211641
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
2-phenyl-2-pyrrolidin-1-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 71878582
(2R)-1-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 92624770
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 56540796
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 86888454

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone (CID 97185452) is (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone is O=C([C@@H](c1ccccc1)N1CCCC1)N1CCc2c(ncn2C2CC2)C1.
What is the InChIKey of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
The InChIKey is ATCQFKUJDKOAHY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(20(23-11-4-5-12-23)16-6-2-1-3-7-16)24-13-10-19-18(14-24)22-15-25(19)17-8-9-17/h1-3,6-7,15,17,20H,4-5,8-14H2/t20-/m1/s1.
What are the key properties of (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone?
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone has a molecular weight of 350.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97185452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).