6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C12H14ClN5O — CID 135862071

IUPAC6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1[nH]ncc1Cl)CC2
InChIInChI=1S/C12H14ClN5O/c1-7-15-10-2-3-18(5-8(10)12(19)16-7)6-11-9(13)4-14-17-11/h4H,2-3,5-6H2,1H3,(H,14,17)(H,15,16,19)
InChIKeyXQOXLBJNTBVZCN-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.01
Rot. Bonds2

About 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862071) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862071
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1[nH]ncc1Cl)CC2
InChIInChI=1S/C12H14ClN5O/c1-7-15-10-2-3-18(5-8(10)12(19)16-7)6-11-9(13)4-14-17-11/h4H,2-3,5-6H2,1H3,(H,14,17)(H,15,16,19)
InChIKeyXQOXLBJNTBVZCN-UHFFFAOYSA-N
XLogP1.01
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(4-chloro-1H-pyrazol-3-yl)carbonyl]-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136183976
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862054
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862074
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24907702
7-[(4-chloro-1H-pyrazol-3-yl)carbonyl]-2,3-dimethyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 50948555
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862051
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862052
2-Tert-butyl-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862053
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862056
2-Amino-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862057
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862060
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862064

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862071) is 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1[nH]ncc1Cl)CC2.
What is the InChIKey of 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XQOXLBJNTBVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7-15-10-2-3-18(5-8(10)12(19)16-7)6-11-9(13)4-14-17-11/h4H,2-3,5-6H2,1H3,(H,14,17)(H,15,16,19).
What are the key properties of 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 279.73 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).