(5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C18H19N7O — CID 131696994

IUPAC(5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCc1ncnc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)c1C
InChIInChI=1S/C18H19N7O/c1-11-12(2)19-9-21-16(11)18(26)25-5-4-15-14(8-25)17(22-10-20-15)13-6-23-24(3)7-13/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyWWQVDBOSOCPLQO-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.48
Rot. Bonds2

About (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 131696994) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID131696994
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name(5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCc1ncnc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)c1C
InChIInChI=1S/C18H19N7O/c1-11-12(2)19-9-21-16(11)18(26)25-5-4-15-14(8-25)17(22-10-20-15)13-6-23-24(3)7-13/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyWWQVDBOSOCPLQO-UHFFFAOYSA-N
XLogP1.48
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

(5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131697177
(5,6-dimethylpyrimidin-4-yl)-[4-(4-methylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 131681895
1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
CID 155870665
(3-chloro-2-methylphenyl)-(4-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696916
(3,3-difluorocyclobutyl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696931
(6-ethyl-3-pyridinyl)-(4-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696809
4-(1-methylpyrazol-4-yl)-7-(thiophen-2-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine;2,2,2-trifluoroacetic acid
CID 155855248
[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 139019991
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 136546980
(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131697050
pyrazolo[1,5-a]pyridin-3-yl-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696717
(4-benzhydrylpiperazin-1-yl)-(5,6-dimethylpyrimidin-4-yl)methanone
CID 146074737

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 131696994) is (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is Cc1ncnc(C(=O)N2CCc3ncnc(-c4cnn(C)c4)c3C2)c1C.
What is the InChIKey of (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is WWQVDBOSOCPLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-11-12(2)19-9-21-16(11)18(26)25-5-4-15-14(8-25)17(22-10-20-15)13-6-23-24(3)7-13/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 349.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 131696994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).