(4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone

C30H34N6O3 — CID 46896573

IUPAC(4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone
SMILESO=C(C1CCC(Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1)N1CCC(O)CC1
InChIInChI=1S/C30H34N6O3/c37-24-13-17-35(18-14-24)29(38)22-8-10-23(11-9-22)33-30-31-15-12-25(34-30)26-19-32-28-27(7-4-16-36(26)28)39-20-21-5-2-1-3-6-21/h1-7,12,15-16,19,22-24,37H,8-11,13-14,17-18,20H2,(H,31,33,34)
InChIKeyPDKJQLGOZQXLMW-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.32
Rot. Bonds7

About (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone

(4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone (PubChem CID 46896573) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone
PubChem CID46896573
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name(4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone
SMILESO=C(C1CCC(Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1)N1CCC(O)CC1
InChIInChI=1S/C30H34N6O3/c37-24-13-17-35(18-14-24)29(38)22-8-10-23(11-9-22)33-30-31-15-12-25(34-30)26-19-32-28-27(7-4-16-36(26)28)39-20-21-5-2-1-3-6-21/h1-7,12,15-16,19,22-24,37H,8-11,13-14,17-18,20H2,(H,31,33,34)
InChIKeyPDKJQLGOZQXLMW-UHFFFAOYSA-N
XLogP4.32
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46896572
3-[2-[[4-[[[2-[[4-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]amino]-6-[8-(3-methylsulfonylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]methyl-methylsulfamoyl]amino]cyclohexyl]amino]pyrimidin-4-yl]-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine
CID 90696804
3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
CID 150471195
(4-hydroxypiperidin-1-yl)-[4-[[4-[4-(3-methylsulfonylpropoxy)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 58017084
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-[[4-[7-(3-methylsulfonylpropoxy)-1,2-benzoxazol-3-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 59743383
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
CID 59593244
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68556119
cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 163305455
4-(azepan-1-yl)-N-[1-[[3,4-bis(phenylmethoxy)phenyl]methyl]piperidin-4-yl]pyrimidin-2-amine
CID 66902816
1-[(3R)-4-[1-[2-[[4-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]-3-methylpiperazin-1-yl]ethanone
CID 58137956

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone (CID 46896573) is (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone is O=C(C1CCC(Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone?
The InChIKey is PDKJQLGOZQXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c37-24-13-17-35(18-14-24)29(38)22-8-10-23(11-9-22)33-30-31-15-12-25(34-30)26-19-32-28-27(7-4-16-36(26)28)39-20-21-5-2-1-3-6-21/h1-7,12,15-16,19,22-24,37H,8-11,13-14,17-18,20H2,(H,31,33,34).
What are the key properties of (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone?
(4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone has a molecular weight of 526.64 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanone is sourced from PubChem (CID 46896573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).