2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C26H32N6O — CID 110264752

IUPAC2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC(c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)CC1
InChIInChI=1S/C26H32N6O/c1-18-11-14-32(15-12-18)23(33)17-31-13-5-8-20(16-31)22-10-9-21-24(27)29-25(30-26(21)28-22)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3,(H2,27,28,29,30)
InChIKeyXMCMBVIXMXCWKV-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.71
Rot. Bonds4

About 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110264752) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110264752
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC(c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)CC1
InChIInChI=1S/C26H32N6O/c1-18-11-14-32(15-12-18)23(33)17-31-13-5-8-20(16-31)22-10-9-21-24(27)29-25(30-26(21)28-22)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3,(H2,27,28,29,30)
InChIKeyXMCMBVIXMXCWKV-UHFFFAOYSA-N
XLogP3.71
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone 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

N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 92631024
[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
CID 92631019
5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 92630985
2-[(3S)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92615344
2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 110264753
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
2-[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110266436
2-[3-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110265474
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 46956412
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 163346995

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 110264752) is 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCCC(c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)CC1.
What is the InChIKey of 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XMCMBVIXMXCWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-18-11-14-32(15-12-18)23(33)17-31-13-5-8-20(16-31)22-10-9-21-24(27)29-25(30-26(21)28-22)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3,(H2,27,28,29,30).
What are the key properties of 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 444.58 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110264752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).