N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide

C18H20F2N6O — CID 172628171

IUPACN-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
SMILESO=C(NC1CC(N2CC(F)(F)C2)C1)c1nc(-n2ccnc2)nc2c1CCC2
InChIInChI=1S/C18H20F2N6O/c19-18(20)8-26(9-18)12-6-11(7-12)22-16(27)15-13-2-1-3-14(13)23-17(24-15)25-5-4-21-10-25/h4-5,10-12H,1-3,6-9H2,(H,22,27)
InChIKeyNAXPDSQNHPGVPA-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.36
Rot. Bonds4

About N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide

N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide (PubChem CID 172628171) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
PubChem CID172628171
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC NameN-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
SMILESO=C(NC1CC(N2CC(F)(F)C2)C1)c1nc(-n2ccnc2)nc2c1CCC2
InChIInChI=1S/C18H20F2N6O/c19-18(20)8-26(9-18)12-6-11(7-12)22-16(27)15-13-2-1-3-14(13)23-17(24-15)25-5-4-21-10-25/h4-5,10-12H,1-3,6-9H2,(H,22,27)
InChIKeyNAXPDSQNHPGVPA-UHFFFAOYSA-N
XLogP1.36
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide (CID 172628171) is N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide is O=C(NC1CC(N2CC(F)(F)C2)C1)c1nc(-n2ccnc2)nc2c1CCC2.
What is the InChIKey of N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The InChIKey is NAXPDSQNHPGVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c19-18(20)8-26(9-18)12-6-11(7-12)22-16(27)15-13-2-1-3-14(13)23-17(24-15)25-5-4-21-10-25/h4-5,10-12H,1-3,6-9H2,(H,22,27).
What are the key properties of N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide is sourced from PubChem (CID 172628171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).