5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C22H21N5O — CID 10292618

IUPAC5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C(C)C)c2nc(Nc3ccc(-c4ccncc4)cc3)ncc12
InChIInChI=1S/C22H21N5O/c1-14(2)27-20(28)12-15(3)19-13-24-22(26-21(19)27)25-18-6-4-16(5-7-18)17-8-10-23-11-9-17/h4-14H,1-3H3,(H,24,25,26)
InChIKeyNUCJRWHUWWVMCR-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.49
Rot. Bonds4

About 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10292618) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID10292618
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C(C)C)c2nc(Nc3ccc(-c4ccncc4)cc3)ncc12
InChIInChI=1S/C22H21N5O/c1-14(2)27-20(28)12-15(3)19-13-24-22(26-21(19)27)25-18-6-4-16(5-7-18)17-8-10-23-11-9-17/h4-14H,1-3H3,(H,24,25,26)
InChIKeyNUCJRWHUWWVMCR-UHFFFAOYSA-N
XLogP4.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 10292618) is 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C(C)C)c2nc(Nc3ccc(-c4ccncc4)cc3)ncc12.
What is the InChIKey of 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NUCJRWHUWWVMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14(2)27-20(28)12-15(3)19-13-24-22(26-21(19)27)25-18-6-4-16(5-7-18)17-8-10-23-11-9-17/h4-14H,1-3H3,(H,24,25,26).
What are the key properties of 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 371.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10292618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).