5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one

C18H16ClN5O2 — CID 126750701

IUPAC5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ncc(Cl)c(=O)[nH]1
InChIInChI=1S/C18H16ClN5O2/c1-11-14(8-21-24(11)18-20-9-15(19)16(25)22-18)17(26)23-7-6-12-4-2-3-5-13(12)10-23/h2-5,8-9H,6-7,10H2,1H3,(H,20,22,25)
InChIKeyMKZKCVLOUKVQPO-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.12
Rot. Bonds2

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

5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 126750701) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID126750701
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ncc(Cl)c(=O)[nH]1
InChIInChI=1S/C18H16ClN5O2/c1-11-14(8-21-24(11)18-20-9-15(19)16(25)22-18)17(26)23-7-6-12-4-2-3-5-13(12)10-23/h2-5,8-9H,6-7,10H2,1H3,(H,20,22,25)
InChIKeyMKZKCVLOUKVQPO-UHFFFAOYSA-N
XLogP2.12
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-fluorobenzyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081191
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126739446
N-(4-fluorophenethyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035914
6-methyl-2-(5-methyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl)pyrimidin-4(3H)-one
CID 136035915
2-(4-(indoline-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 136035918
1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-N-phenethyl-1H-pyrazole-4-carboxamide
CID 136035920
2-[5-Methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049032
2-[5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile
CID 137049033
4-methyl-2-[5-methyl-4-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049036
4-methyl-2-[5-methyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049037
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049044
5-benzyl-N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one (CID 126750701) is 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one is Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ncc(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MKZKCVLOUKVQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-11-14(8-21-24(11)18-20-9-15(19)16(25)22-18)17(26)23-7-6-12-4-2-3-5-13(12)10-23/h2-5,8-9H,6-7,10H2,1H3,(H,20,22,25).
What are the key properties of 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one?
5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 369.81 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylpyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 126750701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).