N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C27H27F3N4O3 — CID 134155803

IUPACN-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ncc(C(=O)C2CC([C@@H](C)CO)c3ncncc32)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H27F3N4O3/c1-3-22-23(34-24(36)8-16-4-6-18(7-5-16)27(28,29)30)9-17(11-32-22)26(37)20-10-19(15(2)13-35)25-21(20)12-31-14-33-25/h4-7,9,11-12,14-15,19-20,35H,3,8,10,13H2,1-2H3,(H,34,36)/t15-,19?,20?/m0/s1
InChIKeyYATACVWKJZUENE-VMEOHVCESA-N
MW512.53 g/mol
LogP4.72
Rot. Bonds8

About N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 134155803) has the molecular formula C27H27F3N4O3 and a molecular weight of 512.53 g/mol. Its IUPAC name is N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID134155803
Molecular FormulaC27H27F3N4O3
Molecular Weight512.53 g/mol
Exact Mass512.20
IUPAC NameN-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ncc(C(=O)C2CC([C@@H](C)CO)c3ncncc32)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H27F3N4O3/c1-3-22-23(34-24(36)8-16-4-6-18(7-5-16)27(28,29)30)9-17(11-32-22)26(37)20-10-19(15(2)13-35)25-21(20)12-31-14-33-25/h4-7,9,11-12,14-15,19-20,35H,3,8,10,13H2,1-2H3,(H,34,36)/t15-,19?,20?/m0/s1
InChIKeyYATACVWKJZUENE-VMEOHVCESA-N
XLogP4.72
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 134155803) is N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CCc1ncc(C(=O)C2CC([C@@H](C)CO)c3ncncc32)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YATACVWKJZUENE-VMEOHVCESA-N. The full InChI is InChI=1S/C27H27F3N4O3/c1-3-22-23(34-24(36)8-16-4-6-18(7-5-16)27(28,29)30)9-17(11-32-22)26(37)20-10-19(15(2)13-35)25-21(20)12-31-14-33-25/h4-7,9,11-12,14-15,19-20,35H,3,8,10,13H2,1-2H3,(H,34,36)/t15-,19?,20?/m0/s1.
What are the key properties of N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 512.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-5-[7-[(2R)-1-hydroxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 134155803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).