N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H28N6O3 — CID 167401018

IUPACN-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(C(=O)NCCN2CCOCC2)CC1)c1cc2ncccn2n1
InChIInChI=1S/C20H28N6O3/c27-19(22-7-9-25-10-12-29-13-11-25)15-2-4-16(5-3-15)23-20(28)17-14-18-21-6-1-8-26(18)24-17/h1,6,8,14-16H,2-5,7,9-13H2,(H,22,27)(H,23,28)
InChIKeyJLBCZHFKKMRCJN-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.47
Rot. Bonds6

About N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 167401018) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID167401018
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC NameN-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(C(=O)NCCN2CCOCC2)CC1)c1cc2ncccn2n1
InChIInChI=1S/C20H28N6O3/c27-19(22-7-9-25-10-12-29-13-11-25)15-2-4-16(5-3-15)23-20(28)17-14-18-21-6-1-8-26(18)24-17/h1,6,8,14-16H,2-5,7,9-13H2,(H,22,27)(H,23,28)
InChIKeyJLBCZHFKKMRCJN-UHFFFAOYSA-N
XLogP0.47
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(morpholino)methanone
CID 53015026
N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91766114
N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 74248545
N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 164637213
7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(5-oxomorpholin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90960933
N-[5-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146598351
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146599583
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599693
N-[(4,4-difluorocyclohexyl)-[3-morpholin-4-yl-2-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 172270526
N-[(S)-(4,4-difluorocyclohexyl)-[3-[2-methoxyethyl(methyl)amino]-2-[[(3R,5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 172271219
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 175761379
N-{[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl}-1-methyl-1H-pyrazole-5-carboxamide
CID 131939234

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 167401018) is N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCC(C(=O)NCCN2CCOCC2)CC1)c1cc2ncccn2n1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JLBCZHFKKMRCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c27-19(22-7-9-25-10-12-29-13-11-25)15-2-4-16(5-3-15)23-20(28)17-14-18-21-6-1-8-26(18)24-17/h1,6,8,14-16H,2-5,7,9-13H2,(H,22,27)(H,23,28).
What are the key properties of N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethylcarbamoyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 167401018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).