N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide

C34H38FN5O2 — CID 126681453

IUPACN-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(CCC3CC3)(NC(=O)CC(C)C)c3cccnc3)ccc2F)c1
InChIInChI=1S/C34H38FN5O2/c1-22(2)17-32(41)38-34(15-14-25-10-11-25,27-8-6-16-36-21-27)26-12-13-29(35)30(20-26)37-33(42)31-19-24(4)39-40(31)28-9-5-7-23(3)18-28/h5-9,12-13,16,18-22,25H,10-11,14-15,17H2,1-4H3,(H,37,42)(H,38,41)
InChIKeyFQFRLPBEXBIZGD-UHFFFAOYSA-N
MW567.71 g/mol
LogP6.87
Rot. Bonds11

About N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide

N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide (PubChem CID 126681453) has the molecular formula C34H38FN5O2 and a molecular weight of 567.71 g/mol. Its IUPAC name is N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
PubChem CID126681453
Molecular FormulaC34H38FN5O2
Molecular Weight567.71 g/mol
Exact Mass567.30
IUPAC NameN-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(CCC3CC3)(NC(=O)CC(C)C)c3cccnc3)ccc2F)c1
InChIInChI=1S/C34H38FN5O2/c1-22(2)17-32(41)38-34(15-14-25-10-11-25,27-8-6-16-36-21-27)26-12-13-29(35)30(20-26)37-33(42)31-19-24(4)39-40(31)28-9-5-7-23(3)18-28/h5-9,12-13,16,18-22,25H,10-11,14-15,17H2,1-4H3,(H,37,42)(H,38,41)
InChIKeyFQFRLPBEXBIZGD-UHFFFAOYSA-N
XLogP6.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide (CID 126681453) is N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide is Cc1cccc(-n2nc(C)cc2C(=O)Nc2cc(C(CCC3CC3)(NC(=O)CC(C)C)c3cccnc3)ccc2F)c1.
What is the InChIKey of N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is FQFRLPBEXBIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN5O2/c1-22(2)17-32(41)38-34(15-14-25-10-11-25,27-8-6-16-36-21-27)26-12-13-29(35)30(20-26)37-33(42)31-19-24(4)39-40(31)28-9-5-7-23(3)18-28/h5-9,12-13,16,18-22,25H,10-11,14-15,17H2,1-4H3,(H,37,42)(H,38,41).
What are the key properties of N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide?
N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 567.71 g/mol, XLogP of 6.87, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 126681453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).