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

C20H27N7O2 — CID 50923416

IUPAC3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2cnn(CCN3CCOCC3)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H27N7O2/c1-14(2)23-19-18-17(21-13-25(3)20(18)28)10-16(24-19)15-11-22-27(12-15)5-4-26-6-8-29-9-7-26/h10-14H,4-9H2,1-3H3,(H,23,24)
InChIKeySBOSEVDFBCSJQD-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.34
Rot. Bonds6

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

3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923416) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923416
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2cnn(CCN3CCOCC3)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H27N7O2/c1-14(2)23-19-18-17(21-13-25(3)20(18)28)10-16(24-19)15-11-22-27(12-15)5-4-26-6-8-29-9-7-26/h10-14H,4-9H2,1-3H3,(H,23,24)
InChIKeySBOSEVDFBCSJQD-UHFFFAOYSA-N
XLogP1.34
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.34
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-ylethyl)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-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 50923416) is 3-methyl-7-[1-(2-morpholin-4-ylethyl)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-ylethyl)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-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2cnn(CCN3CCOCC3)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SBOSEVDFBCSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-14(2)23-19-18-17(21-13-25(3)20(18)28)10-16(24-19)15-11-22-27(12-15)5-4-26-6-8-29-9-7-26/h10-14H,4-9H2,1-3H3,(H,23,24).
What are the key properties of 3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 397.48 g/mol, XLogP of 1.34, 6 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-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).