2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

C31H29N7O3 — CID 70934325

IUPAC2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(-c3ccccn3)cn2)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1C1CCOC1
InChIInChI=1S/C31H29N7O3/c39-30-25(27-9-6-21(16-34-27)26-3-1-2-11-33-26)15-22-17-35-31(37-29(22)38(30)24-10-13-40-19-24)36-23-7-4-20(5-8-23)28-18-32-12-14-41-28/h1-9,11,15-17,24,28,32H,10,12-14,18-19H2,(H,35,36,37)
InChIKeyVUZMNFHLJKSEHX-UHFFFAOYSA-N
MW547.62 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934325) has the molecular formula C31H29N7O3 and a molecular weight of 547.62 g/mol. Its IUPAC name is 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934325
Molecular FormulaC31H29N7O3
Molecular Weight547.62 g/mol
Exact Mass547.23
IUPAC Name2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(-c3ccccn3)cn2)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1C1CCOC1
InChIInChI=1S/C31H29N7O3/c39-30-25(27-9-6-21(16-34-27)26-3-1-2-11-33-26)15-22-17-35-31(37-29(22)38(30)24-10-13-40-19-24)36-23-7-4-20(5-8-23)28-18-32-12-14-41-28/h1-9,11,15-17,24,28,32H,10,12-14,18-19H2,(H,35,36,37)
InChIKeyVUZMNFHLJKSEHX-UHFFFAOYSA-N
XLogP4.28
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (CID 70934325) is 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is O=c1c(-c2ccc(-c3ccccn3)cn2)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n1C1CCOC1.
What is the InChIKey of 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VUZMNFHLJKSEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O3/c39-30-25(27-9-6-21(16-34-27)26-3-1-2-11-33-26)15-22-17-35-31(37-29(22)38(30)24-10-13-40-19-24)36-23-7-4-20(5-8-23)28-18-32-12-14-41-28/h1-9,11,15-17,24,28,32H,10,12-14,18-19H2,(H,35,36,37).
What are the key properties of 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 547.62 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-2-ylanilino)-8-(oxolan-3-yl)-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).