N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide

C27H30FN5O2 — CID 155197062

IUPACN-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide
SMILESCc1cc(N2CC[C@@](C)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-n3nc(C)cc3C)c2)n1
InChIInChI=1S/C27H30FN5O2/c1-16-10-22(32-8-7-27(4,26(32)35)20-5-6-20)15-24(29-16)30-25(34)13-19-11-21(28)14-23(12-19)33-18(3)9-17(2)31-33/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,29,30,34)/t27-/m0/s1
InChIKeyPMXXFASTFJNEOK-MHZLTWQESA-N
MW475.57 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide

N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide (PubChem CID 155197062) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide
PubChem CID155197062
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC NameN-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide
SMILESCc1cc(N2CC[C@@](C)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-n3nc(C)cc3C)c2)n1
InChIInChI=1S/C27H30FN5O2/c1-16-10-22(32-8-7-27(4,26(32)35)20-5-6-20)15-24(29-16)30-25(34)13-19-11-21(28)14-23(12-19)33-18(3)9-17(2)31-33/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,29,30,34)/t27-/m0/s1
InChIKeyPMXXFASTFJNEOK-MHZLTWQESA-N
XLogP4.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide (CID 155197062) is N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide is Cc1cc(N2CC[C@@](C)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-n3nc(C)cc3C)c2)n1.
What is the InChIKey of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide?
The InChIKey is PMXXFASTFJNEOK-MHZLTWQESA-N. The full InChI is InChI=1S/C27H30FN5O2/c1-16-10-22(32-8-7-27(4,26(32)35)20-5-6-20)15-24(29-16)30-25(34)13-19-11-21(28)14-23(12-19)33-18(3)9-17(2)31-33/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,29,30,34)/t27-/m0/s1.
What are the key properties of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide?
N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide has a molecular weight of 475.57 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide is sourced from PubChem (CID 155197062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).