2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C22H25N5O2 — CID 137049044

IUPAC2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc4C3)c2CC(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-14(2)10-19-18(12-23-27(19)22-24-15(3)11-20(28)25-22)21(29)26-9-8-16-6-4-5-7-17(16)13-26/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,24,25,28)
InChIKeyUDHIMUYNTSNSBW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049044) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049044
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc4C3)c2CC(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-14(2)10-19-18(12-23-27(19)22-24-15(3)11-20(28)25-22)21(29)26-9-8-16-6-4-5-7-17(16)13-26/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,24,25,28)
InChIKeyUDHIMUYNTSNSBW-UHFFFAOYSA-N
XLogP2.66
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4(1H)-Quinazolinone, 2-(1,5-dimethyl-1H-pyrazol-4-yl)-2,3-dihydro-3-hydroxy-
CID 4103501
N-(4-fluorobenzyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081191
N-2,4-difluorophenyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-4-pyrazolecarboxamide
CID 137010044
Smo-IN-2
CID 147359459
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
CID 3239266
1-[1-(4-Oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 137049300
N-(1-{1-[3-(acetylamino)benzoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 24790589
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methylbenzamide
CID 24791098
N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methylbenzamide
CID 24793873
2-methyl-N-[2-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-3-yl]benzamide
CID 1067716
3-(4-methylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939654
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126739446

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049044) is 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCc4ccccc4C3)c2CC(C)C)n1.
What is the InChIKey of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UDHIMUYNTSNSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(2)10-19-18(12-23-27(19)22-24-15(3)11-20(28)25-22)21(29)26-9-8-16-6-4-5-7-17(16)13-26/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,24,25,28).
What are the key properties of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 391.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).