1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide

C23H28N6O3 — CID 98132851

IUPAC1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1cnccc1-c1cn[nH]c1C1CCC(CNC(=O)c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C23H28N6O3/c1-14-11-24-9-8-17(14)18-13-26-27-21(18)16-6-4-15(5-7-16)12-25-22(31)19-10-20(30)29(3)23(32)28(19)2/h8-11,13,15-16H,4-7,12H2,1-3H3,(H,25,31)(H,26,27)
InChIKeyFIPPREXIMQHYHF-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.88
Rot. Bonds5

About 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 98132851) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide
PubChem CID98132851
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1cnccc1-c1cn[nH]c1C1CCC(CNC(=O)c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C23H28N6O3/c1-14-11-24-9-8-17(14)18-13-26-27-21(18)16-6-4-15(5-7-16)12-25-22(31)19-10-20(30)29(3)23(32)28(19)2/h8-11,13,15-16H,4-7,12H2,1-3H3,(H,25,31)(H,26,27)
InChIKeyFIPPREXIMQHYHF-UHFFFAOYSA-N
XLogP1.88
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide (CID 98132851) is 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide is Cc1cnccc1-c1cn[nH]c1C1CCC(CNC(=O)c2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is FIPPREXIMQHYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-14-11-24-9-8-17(14)18-13-26-27-21(18)16-6-4-15(5-7-16)12-25-22(31)19-10-20(30)29(3)23(32)28(19)2/h8-11,13,15-16H,4-7,12H2,1-3H3,(H,25,31)(H,26,27).
What are the key properties of 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]cyclohexyl]methyl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 98132851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).