8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one

C31H32N8O3 — CID 70934397

IUPAC8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C31H32N8O3/c1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27/h7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36)
InChIKeyRMUGMULUKKDVNA-UHFFFAOYSA-N
MW564.65 g/mol
LogP5.07
Rot. Bonds6

About 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934397) has the molecular formula C31H32N8O3 and a molecular weight of 564.65 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934397
Molecular FormulaC31H32N8O3
Molecular Weight564.65 g/mol
Exact Mass564.26
IUPAC Name8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C31H32N8O3/c1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27/h7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36)
InChIKeyRMUGMULUKKDVNA-UHFFFAOYSA-N
XLogP5.07
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one (CID 70934397) is 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RMUGMULUKKDVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O3/c1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27/h7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36).
What are the key properties of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 564.65 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).