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

C23H28FN5O2 — CID 169003840

IUPAC(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCc2c(F)cccc2C1
InChIInChI=1S/C23H28FN5O2/c24-20-3-1-2-18-15-29(9-6-19(18)20)23(30)17-4-7-27(8-5-17)21-14-22(26-16-25-21)28-10-12-31-13-11-28/h1-3,14,16-17H,4-13,15H2
InChIKeyFLEWHDAGKYHKSS-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.25
Rot. Bonds3

About (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 169003840) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID169003840
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCc2c(F)cccc2C1
InChIInChI=1S/C23H28FN5O2/c24-20-3-1-2-18-15-29(9-6-19(18)20)23(30)17-4-7-27(8-5-17)21-14-22(26-16-25-21)28-10-12-31-13-11-28/h1-3,14,16-17H,4-13,15H2
InChIKeyFLEWHDAGKYHKSS-UHFFFAOYSA-N
XLogP2.25
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003827
[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 169003821
(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003833
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170415
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
(6-fluoro-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003832
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
[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
1-(2-fluorophenyl)-3-[2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]urea
CID 119321630

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 169003840) is (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCc2c(F)cccc2C1.
What is the InChIKey of (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is FLEWHDAGKYHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c24-20-3-1-2-18-15-29(9-6-19(18)20)23(30)17-4-7-27(8-5-17)21-14-22(26-16-25-21)28-10-12-31-13-11-28/h1-3,14,16-17H,4-13,15H2.
What are the key properties of (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 425.51 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 169003840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).