8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C19H17N5O — CID 5330218

IUPAC8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(-n4cccc4)cc3)nc21
InChIInChI=1S/C19H17N5O/c1-2-24-17(25)10-5-14-13-20-19(22-18(14)24)21-15-6-8-16(9-7-15)23-11-3-4-12-23/h3-13H,2H2,1H3,(H,20,21,22)
InChIKeyFDUVGIYRBPSEDU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.35
Rot. Bonds4

About 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330218) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330218
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(-n4cccc4)cc3)nc21
InChIInChI=1S/C19H17N5O/c1-2-24-17(25)10-5-14-13-20-19(22-18(14)24)21-15-6-8-16(9-7-15)23-11-3-4-12-23/h3-13H,2H2,1H3,(H,20,21,22)
InChIKeyFDUVGIYRBPSEDU-UHFFFAOYSA-N
XLogP3.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330218) is 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(-n4cccc4)cc3)nc21.
What is the InChIKey of 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FDUVGIYRBPSEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-24-17(25)10-5-14-13-20-19(22-18(14)24)21-15-6-8-16(9-7-15)23-11-3-4-12-23/h3-13H,2H2,1H3,(H,20,21,22).
What are the key properties of 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 331.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).