8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C22H27N5O2 — CID 70112222

IUPAC8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCCn1c(=O)ccc2cnc(N(c3ccccc3)C3CCNCC3)nc21
InChIInChI=1S/C22H27N5O2/c1-29-15-5-14-26-20(28)9-8-17-16-24-22(25-21(17)26)27(18-6-3-2-4-7-18)19-10-12-23-13-11-19/h2-4,6-9,16,19,23H,5,10-15H2,1H3
InChIKeyJEXINHODPZDFEY-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.72
Rot. Bonds7

About 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70112222) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70112222
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCCn1c(=O)ccc2cnc(N(c3ccccc3)C3CCNCC3)nc21
InChIInChI=1S/C22H27N5O2/c1-29-15-5-14-26-20(28)9-8-17-16-24-22(25-21(17)26)27(18-6-3-2-4-7-18)19-10-12-23-13-11-19/h2-4,6-9,16,19,23H,5,10-15H2,1H3
InChIKeyJEXINHODPZDFEY-UHFFFAOYSA-N
XLogP2.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70111873
8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114854
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70113134
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
4-[1-(3-methoxypropyl)-5-methylimidazol-2-yl]piperidine
CID 176515358
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
4-methoxy-8-(3-methoxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 91812676
8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 67553457
4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
CID 90737217

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 70112222) is 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is COCCCn1c(=O)ccc2cnc(N(c3ccccc3)C3CCNCC3)nc21.
What is the InChIKey of 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JEXINHODPZDFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-29-15-5-14-26-20(28)9-8-17-16-24-22(25-21(17)26)27(18-6-3-2-4-7-18)19-10-12-23-13-11-19/h2-4,6-9,16,19,23H,5,10-15H2,1H3.
What are the key properties of 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 393.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70112222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).