2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C14H15Cl2N5 — CID 86690295

IUPAC2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1nc(C2CC2)cc1N1CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C14H15Cl2N5/c1-20-12(6-11(19-20)8-2-3-8)21-5-4-10-9(7-21)13(15)18-14(16)17-10/h6,8H,2-5,7H2,1H3
InChIKeyNLXQYKWCNIHIAD-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.96
Rot. Bonds2

About 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 86690295) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID86690295
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC Name2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1nc(C2CC2)cc1N1CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C14H15Cl2N5/c1-20-12(6-11(19-20)8-2-3-8)21-5-4-10-9(7-21)13(15)18-14(16)17-10/h6,8H,2-5,7H2,1H3
InChIKeyNLXQYKWCNIHIAD-UHFFFAOYSA-N
XLogP2.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 89397272
4-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 89397266
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71239147
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 78044774
6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-ethoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244801
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
CID 141216188
3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide
CID 87650656
2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 82192182
[(1R)-1-chloroethyl] 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86336226
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
1-[2-(2,6-dimethylphenyl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 71244802
2-(2,6-dimethylphenyl)-4-(3-methoxyazetidin-1-yl)-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71240573

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 86690295) is 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1nc(C2CC2)cc1N1CCc2nc(Cl)nc(Cl)c2C1.
What is the InChIKey of 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NLXQYKWCNIHIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5/c1-20-12(6-11(19-20)8-2-3-8)21-5-4-10-9(7-21)13(15)18-14(16)17-10/h6,8H,2-5,7H2,1H3.
What are the key properties of 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 324.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 86690295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).