7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C17H22N6O2 — CID 66959610

IUPAC7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C17H22N6O2/c1-11(2)20-16-15-14(18-10-22(3)17(15)24)7-13(21-16)12-8-19-23(9-12)5-6-25-4/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyDQXNKPCFIJCQKH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.66
Rot. Bonds6

About 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959610) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959610
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1
InChIInChI=1S/C17H22N6O2/c1-11(2)20-16-15-14(18-10-22(3)17(15)24)7-13(21-16)12-8-19-23(9-12)5-6-25-4/h7-11H,5-6H2,1-4H3,(H,20,21)
InChIKeyDQXNKPCFIJCQKH-UHFFFAOYSA-N
XLogP1.66
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959610) is 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is COCCn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1.
What is the InChIKey of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DQXNKPCFIJCQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(2)20-16-15-14(18-10-22(3)17(15)24)7-13(21-16)12-8-19-23(9-12)5-6-25-4/h7-11H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).