2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one

C16H21ClN6O — CID 56875230

IUPAC2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)C(C)n1cc(Cl)cn1)C2
InChIInChI=1S/C16H21ClN6O/c1-10(23-8-12(17)7-18-23)16(24)22-6-5-13-14(9-22)19-11(2)20-15(13)21(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyQLGOPPFGDIPTGZ-UHFFFAOYSA-N
MW348.84 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one

2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one (PubChem CID 56875230) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
PubChem CID56875230
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)C(C)n1cc(Cl)cn1)C2
InChIInChI=1S/C16H21ClN6O/c1-10(23-8-12(17)7-18-23)16(24)22-6-5-13-14(9-22)19-11(2)20-15(13)21(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyQLGOPPFGDIPTGZ-UHFFFAOYSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one (CID 56875230) is 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)C(C)n1cc(Cl)cn1)C2.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The InChIKey is QLGOPPFGDIPTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-10(23-8-12(17)7-18-23)16(24)22-6-5-13-14(9-22)19-11(2)20-15(13)21(3)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one has a molecular weight of 348.84 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one is sourced from PubChem (CID 56875230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).