N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H20F2N4O — CID 127665029

IUPACN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCCc1cnc(C2CC2)nc1)N1CCc2c(F)ccc(F)c2C1
InChIInChI=1S/C19H20F2N4O/c20-16-3-4-17(21)15-11-25(8-6-14(15)16)19(26)22-7-5-12-9-23-18(24-10-12)13-1-2-13/h3-4,9-10,13H,1-2,5-8,11H2,(H,22,26)
InChIKeyLIUYIAWMYHPGLS-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 127665029) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID127665029
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC NameN-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCCc1cnc(C2CC2)nc1)N1CCc2c(F)ccc(F)c2C1
InChIInChI=1S/C19H20F2N4O/c20-16-3-4-17(21)15-11-25(8-6-14(15)16)19(26)22-7-5-12-9-23-18(24-10-12)13-1-2-13/h3-4,9-10,13H,1-2,5-8,11H2,(H,22,26)
InChIKeyLIUYIAWMYHPGLS-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 100641585
(4aS,8aR)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 124879669
(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide
CID 124740629
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138995509
2-cyclobutyl-1-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86778686
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97012993
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922979
(2R,6R)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 126825314
5,8-difluoro-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97005865
8-bromo-5-fluoro-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128663492
N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 12002499
(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
CID 164629625

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 127665029) is N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NCCc1cnc(C2CC2)nc1)N1CCc2c(F)ccc(F)c2C1.
What is the InChIKey of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is LIUYIAWMYHPGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c20-16-3-4-17(21)15-11-25(8-6-14(15)16)19(26)22-7-5-12-9-23-18(24-10-12)13-1-2-13/h3-4,9-10,13H,1-2,5-8,11H2,(H,22,26).
What are the key properties of N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 127665029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).