(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C23H24FN5O — CID 169003833

IUPAC(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(-n3cccc3)ncn2)CC1)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C23H24FN5O/c24-20-4-3-19-15-29(12-7-18(19)13-20)23(30)17-5-10-28(11-6-17)22-14-21(25-16-26-22)27-8-1-2-9-27/h1-4,8-9,13-14,16-17H,5-7,10-12,15H2
InChIKeyOKSAOZVDDSKEHN-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.21
Rot. Bonds3

About (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 169003833) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID169003833
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(-n3cccc3)ncn2)CC1)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C23H24FN5O/c24-20-4-3-19-15-29(12-7-18(19)13-20)23(30)17-5-10-28(11-6-17)22-14-21(25-16-26-22)27-8-1-2-9-27/h1-4,8-9,13-14,16-17H,5-7,10-12,15H2
InChIKeyOKSAOZVDDSKEHN-UHFFFAOYSA-N
XLogP3.21
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-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-fluoro-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003832
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003840
(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003827
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520409
(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 146127042
(6,7-dichloro-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003835
[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 169003821
N-(4-fluorophenyl)-4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122341861
[1-(5-bromo-2-pyridinyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 171991173
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 169003833) is (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cc(-n3cccc3)ncn2)CC1)N1CCc2cc(F)ccc2C1.
What is the InChIKey of (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is OKSAOZVDDSKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-20-4-3-19-15-29(12-7-18(19)13-20)23(30)17-5-10-28(11-6-17)22-14-21(25-16-26-22)27-8-1-2-9-27/h1-4,8-9,13-14,16-17H,5-7,10-12,15H2.
What are the key properties of (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 169003833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).