N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C24H30N4O3 — CID 53009225

IUPACN-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1ccc(-c2cc3n(C)c(C)c(CCC(=O)NC4CCCCC4)c(=O)n3n2)cc1
InChIInChI=1S/C24H30N4O3/c1-16-20(13-14-22(29)25-18-7-5-4-6-8-18)24(30)28-23(27(16)2)15-21(26-28)17-9-11-19(31-3)12-10-17/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,25,29)
InChIKeyRTMVJCLAXZXPJF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.40
Rot. Bonds6

About N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 53009225) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID53009225
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCOc1ccc(-c2cc3n(C)c(C)c(CCC(=O)NC4CCCCC4)c(=O)n3n2)cc1
InChIInChI=1S/C24H30N4O3/c1-16-20(13-14-22(29)25-18-7-5-4-6-8-18)24(30)28-23(27(16)2)15-21(26-28)17-9-11-19(31-3)12-10-17/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,25,29)
InChIKeyRTMVJCLAXZXPJF-UHFFFAOYSA-N
XLogP3.40
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 53009225) is N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is COc1ccc(-c2cc3n(C)c(C)c(CCC(=O)NC4CCCCC4)c(=O)n3n2)cc1.
What is the InChIKey of N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is RTMVJCLAXZXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-20(13-14-22(29)25-18-7-5-4-6-8-18)24(30)28-23(27(16)2)15-21(26-28)17-9-11-19(31-3)12-10-17/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,25,29).
What are the key properties of N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 53009225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).