4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

C21H25N5O — CID 133408364

IUPAC4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESCOc1ccc(CCC2CCN(c3ncnc4nc(N)ccc34)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-27-17-6-4-15(5-7-17)2-3-16-10-12-26(13-11-16)21-18-8-9-19(22)25-20(18)23-14-24-21/h4-9,14,16H,2-3,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyMATBHPOKZJAWRD-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.46
Rot. Bonds5

About 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine

4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (PubChem CID 133408364) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
PubChem CID133408364
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
SMILESCOc1ccc(CCC2CCN(c3ncnc4nc(N)ccc34)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-27-17-6-4-15(5-7-17)2-3-16-10-12-26(13-11-16)21-18-8-9-19(22)25-20(18)23-14-24-21/h4-9,14,16H,2-3,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyMATBHPOKZJAWRD-UHFFFAOYSA-N
XLogP3.46
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
4-[4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-6-(4-methoxyphenyl)pyrrolo[3,4-d]pyridazin-1-amine
CID 142851793
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133408361
5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 133369795
[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133409016
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
CID 154673037
7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
CID 54583395
4-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 129344709
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 56584074

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine (CID 133408364) is 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is COc1ccc(CCC2CCN(c3ncnc4nc(N)ccc34)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is MATBHPOKZJAWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-27-17-6-4-15(5-7-17)2-3-16-10-12-26(13-11-16)21-18-8-9-19(22)25-20(18)23-14-24-21/h4-9,14,16H,2-3,10-13H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine?
4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 363.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 133408364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).