2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide

C25H34N6O — CID 91098815

IUPAC2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide
SMILESCc1cc(C)n(Cc2cc(C3=C(CC(=O)NC4CC4)N=CCC3)n(C3CCCCC3)n2)n1
InChIInChI=1S/C25H34N6O/c1-17-13-18(2)30(28-17)16-20-14-24(31(29-20)21-7-4-3-5-8-21)22-9-6-12-26-23(22)15-25(32)27-19-10-11-19/h12-14,19,21H,3-11,15-16H2,1-2H3,(H,27,32)
InChIKeyUSGQFZUBJAPVGH-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.49
Rot. Bonds7

About 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide

2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide (PubChem CID 91098815) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide
PubChem CID91098815
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide
SMILESCc1cc(C)n(Cc2cc(C3=C(CC(=O)NC4CC4)N=CCC3)n(C3CCCCC3)n2)n1
InChIInChI=1S/C25H34N6O/c1-17-13-18(2)30(28-17)16-20-14-24(31(29-20)21-7-4-3-5-8-21)22-9-6-12-26-23(22)15-25(32)27-19-10-11-19/h12-14,19,21H,3-11,15-16H2,1-2H3,(H,27,32)
InChIKeyUSGQFZUBJAPVGH-UHFFFAOYSA-N
XLogP4.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide (CID 91098815) is 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide is Cc1cc(C)n(Cc2cc(C3=C(CC(=O)NC4CC4)N=CCC3)n(C3CCCCC3)n2)n1.
What is the InChIKey of 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide?
The InChIKey is USGQFZUBJAPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-17-13-18(2)30(28-17)16-20-14-24(31(29-20)21-7-4-3-5-8-21)22-9-6-12-26-23(22)15-25(32)27-19-10-11-19/h12-14,19,21H,3-11,15-16H2,1-2H3,(H,27,32).
What are the key properties of 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide?
2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide has a molecular weight of 434.59 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-cyclohexyl-3-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-5-yl]-3,4-dihydropyridin-6-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 91098815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).