3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide

C24H28N8O2 — CID 168846528

IUPAC3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide
SMILESCC1CCC(C(C(=O)Nc2ccc(-c3c(C#N)cnn3C)cn2)c2cc(C(N)=O)n(C)n2)CC1
InChIInChI=1S/C24H28N8O2/c1-14-4-6-15(7-5-14)21(18-10-19(23(26)33)31(2)30-18)24(34)29-20-9-8-16(12-27-20)22-17(11-25)13-28-32(22)3/h8-10,12-15,21H,4-7H2,1-3H3,(H2,26,33)(H,27,29,34)
InChIKeyGEGIVAZJEJGGOL-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.73
Rot. Bonds6

About 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide

3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 168846528) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide
PubChem CID168846528
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide
SMILESCC1CCC(C(C(=O)Nc2ccc(-c3c(C#N)cnn3C)cn2)c2cc(C(N)=O)n(C)n2)CC1
InChIInChI=1S/C24H28N8O2/c1-14-4-6-15(7-5-14)21(18-10-19(23(26)33)31(2)30-18)24(34)29-20-9-8-16(12-27-20)22-17(11-25)13-28-32(22)3/h8-10,12-15,21H,4-7H2,1-3H3,(H2,26,33)(H,27,29,34)
InChIKeyGEGIVAZJEJGGOL-UHFFFAOYSA-N
XLogP2.73
TPSA144.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide (CID 168846528) is 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide is CC1CCC(C(C(=O)Nc2ccc(-c3c(C#N)cnn3C)cn2)c2cc(C(N)=O)n(C)n2)CC1.
What is the InChIKey of 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is GEGIVAZJEJGGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-14-4-6-15(7-5-14)21(18-10-19(23(26)33)31(2)30-18)24(34)29-20-9-8-16(12-27-20)22-17(11-25)13-28-32(22)3/h8-10,12-15,21H,4-7H2,1-3H3,(H2,26,33)(H,27,29,34).
What are the key properties of 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide?
3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(4-cyano-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 168846528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).