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

C27H29N5O2 — CID 70346791

IUPAC8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CCn2c(=O)ccc3cnc(N(c4ccccc4)C4CCNCC4)nc32)cc1
InChIInChI=1S/C27H29N5O2/c1-34-24-10-7-20(8-11-24)15-18-31-25(33)12-9-21-19-29-27(30-26(21)31)32(22-5-3-2-4-6-22)23-13-16-28-17-14-23/h2-12,19,23,28H,13-18H2,1H3
InChIKeyTZOZBVPPVSUPFU-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.93
Rot. Bonds7

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

8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70346791) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70346791
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CCn2c(=O)ccc3cnc(N(c4ccccc4)C4CCNCC4)nc32)cc1
InChIInChI=1S/C27H29N5O2/c1-34-24-10-7-20(8-11-24)15-18-31-25(33)12-9-21-19-29-27(30-26(21)31)32(22-5-3-2-4-6-22)23-13-16-28-17-14-23/h2-12,19,23,28H,13-18H2,1H3
InChIKeyTZOZBVPPVSUPFU-UHFFFAOYSA-N
XLogP3.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70111873
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
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
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 142218031
N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
CID 107174074
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 70346791) is 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(CCn2c(=O)ccc3cnc(N(c4ccccc4)C4CCNCC4)nc32)cc1.
What is the InChIKey of 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TZOZBVPPVSUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-34-24-10-7-20(8-11-24)15-18-31-25(33)12-9-21-19-29-27(30-26(21)31)32(22-5-3-2-4-6-22)23-13-16-28-17-14-23/h2-12,19,23,28H,13-18H2,1H3.
What are the key properties of 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 455.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70346791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).