(3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C19H23ClN4O — CID 131653467

IUPAC(3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1Cc2cncn2C(CN2CCCCC2)C1
InChIInChI=1S/C19H23ClN4O/c20-16-6-4-5-15(9-16)19(25)23-12-17-10-21-14-24(17)18(13-23)11-22-7-2-1-3-8-22/h4-6,9-10,14,18H,1-3,7-8,11-13H2
InChIKeyPPOVFFDHNLEEPW-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.22
Rot. Bonds3

About (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 131653467) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID131653467
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name(3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1Cc2cncn2C(CN2CCCCC2)C1
InChIInChI=1S/C19H23ClN4O/c20-16-6-4-5-15(9-16)19(25)23-12-17-10-21-14-24(17)18(13-23)11-22-7-2-1-3-8-22/h4-6,9-10,14,18H,1-3,7-8,11-13H2
InChIKeyPPOVFFDHNLEEPW-UHFFFAOYSA-N
XLogP3.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(5-chloro-1-benzofuran-2-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124817010
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
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(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
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[(5R)-5-(cyclopentylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 124794206
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307301
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 131653467) is (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is O=C(c1cccc(Cl)c1)N1Cc2cncn2C(CN2CCCCC2)C1.
What is the InChIKey of (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is PPOVFFDHNLEEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-6-4-5-15(9-16)19(25)23-12-17-10-21-14-24(17)18(13-23)11-22-7-2-1-3-8-22/h4-6,9-10,14,18H,1-3,7-8,11-13H2.
What are the key properties of (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[5-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131653467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).