N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide

C22H27N5O2 — CID 135551805

IUPACN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C22H27N5O2/c1-12-5-18(27(26-12)21-23-17-4-2-3-16(17)19(28)25-21)24-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h5,13-15H,2-4,6-11H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyLAAXNNUICKPLIE-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.91
Rot. Bonds3

About N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide (PubChem CID 135551805) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
PubChem CID135551805
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C22H27N5O2/c1-12-5-18(27(26-12)21-23-17-4-2-3-16(17)19(28)25-21)24-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h5,13-15H,2-4,6-11H2,1H3,(H,24,29)(H,23,25,28)
InChIKeyLAAXNNUICKPLIE-UHFFFAOYSA-N
XLogP2.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
CID 135551798
2-cyclohexyl-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551800
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroqui
CID 136253213
2-[5-(1-adamantylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018053
N1-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)-N2-(3,3,5-trimethylcyclohexyl)oxalamide
CID 135954204
(3r,5r,7r)-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)adamantane-1-carboxamide
CID 135753194
N-(3-cyclopropyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 135892055
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 135753037
N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135551788
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 135752899
(3r,5r,7r)-N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)adamantane-1-carboxamide
CID 135752905

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide (CID 135551805) is N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide is Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
The InChIKey is LAAXNNUICKPLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-12-5-18(27(26-12)21-23-17-4-2-3-16(17)19(28)25-21)24-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h5,13-15H,2-4,6-11H2,1H3,(H,24,29)(H,23,25,28).
What are the key properties of N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide?
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 135551805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).