(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone

C22H25ClN4O — CID 155120452

IUPAC(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(C2CC2)n1)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H25ClN4O/c23-20-13-19(24-21(25-20)16-5-6-16)22(28)26-11-8-18(9-12-26)27-10-7-15-3-1-2-4-17(15)14-27/h1-4,13,16,18H,5-12,14H2
InChIKeyVNIBTXSUOBPDNU-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.67
Rot. Bonds3

About (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone

(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone (PubChem CID 155120452) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
PubChem CID155120452
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(C2CC2)n1)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H25ClN4O/c23-20-13-19(24-21(25-20)16-5-6-16)22(28)26-11-8-18(9-12-26)27-10-7-15-3-1-2-4-17(15)14-27/h1-4,13,16,18H,5-12,14H2
InChIKeyVNIBTXSUOBPDNU-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-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

(6-chloro-2-ethylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 155109003
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121153393
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 128709518
(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane
CID 156793191
2,1,3-benzoxadiazol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 56908568
(4-chlorophenyl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]methanone
CID 124711067
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 119066180
1-[4-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 155120412

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone (CID 155120452) is (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone is O=C(c1cc(Cl)nc(C2CC2)n1)N1CCC(N2CCc3ccccc3C2)CC1.
What is the InChIKey of (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
The InChIKey is VNIBTXSUOBPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-20-13-19(24-21(25-20)16-5-6-16)22(28)26-11-8-18(9-12-26)27-10-7-15-3-1-2-4-17(15)14-27/h1-4,13,16,18H,5-12,14H2.
What are the key properties of (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone?
(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone has a molecular weight of 396.92 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155120452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).