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

C20H25N7O3 — CID 50923417

IUPAC3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2cnn(CC(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N7O3/c1-13(2)23-19-18-16(21-12-25(3)20(18)29)8-15(24-19)14-9-22-27(10-14)11-17(28)26-4-6-30-7-5-26/h8-10,12-13H,4-7,11H2,1-3H3,(H,23,24)
InChIKeyBNZIVSCMYMIFSM-UHFFFAOYSA-N
MW411.47 g/mol
LogP0.87
Rot. Bonds5

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

3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923417) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923417
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2cnn(CC(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N7O3/c1-13(2)23-19-18-16(21-12-25(3)20(18)29)8-15(24-19)14-9-22-27(10-14)11-17(28)26-4-6-30-7-5-26/h8-10,12-13H,4-7,11H2,1-3H3,(H,23,24)
InChIKeyBNZIVSCMYMIFSM-UHFFFAOYSA-N
XLogP0.87
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 50923417) is 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2cnn(CC(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BNZIVSCMYMIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-13(2)23-19-18-16(21-12-25(3)20(18)29)8-15(24-19)14-9-22-27(10-14)11-17(28)26-4-6-30-7-5-26/h8-10,12-13H,4-7,11H2,1-3H3,(H,23,24).
What are the key properties of 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 411.47 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).