3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C26H32N8O3 — CID 123528079

IUPAC3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCc1ccc2ncc(-c3nc(NC4CCCN(C(=O)CC#N)C4)cc(OCCN4CCOCC4)n3)n2c1
InChIInChI=1S/C26H32N8O3/c1-19-4-5-23-28-16-21(34(23)17-19)26-30-22(29-20-3-2-8-33(18-20)25(35)6-7-27)15-24(31-26)37-14-11-32-9-12-36-13-10-32/h4-5,15-17,20H,2-3,6,8-14,18H2,1H3,(H,29,30,31)
InChIKeyFWDGZWJCHHAQDQ-UHFFFAOYSA-N
MW504.60 g/mol
LogP2.13
Rot. Bonds8

About 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 123528079) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID123528079
Molecular FormulaC26H32N8O3
Molecular Weight504.60 g/mol
Exact Mass504.26
IUPAC Name3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCc1ccc2ncc(-c3nc(NC4CCCN(C(=O)CC#N)C4)cc(OCCN4CCOCC4)n3)n2c1
InChIInChI=1S/C26H32N8O3/c1-19-4-5-23-28-16-21(34(23)17-19)26-30-22(29-20-3-2-8-33(18-20)25(35)6-7-27)15-24(31-26)37-14-11-32-9-12-36-13-10-32/h4-5,15-17,20H,2-3,6,8-14,18H2,1H3,(H,29,30,31)
InChIKeyFWDGZWJCHHAQDQ-UHFFFAOYSA-N
XLogP2.13
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.60
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile with MolForge

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Related Compounds

US10759793, Example 15
CID 124125681
US10759793, Example 16
CID 124125862
N-((3S,4S)-4-fluoropiperidin-3-yl)-4-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 167450061
US11203600, Example 180
CID 142476031
US11203600, Example 169
CID 146495660
US10759793, Example 97
CID 124125915
US10981911, Example 43
CID 146193310
US10174049, Example 14
CID 74763293
4-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]oxy}-N-methyl-N-phenylpiperidine-1-carboxamide
CID 90158155
5-(9-methyl-5-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}-9H-purin-8-yl)pyridin-3-amine
CID 90166528
(S)-1-(3-((9-methyl-8-(6-methylpyridin-3-yl)-9H-purin-6-yl)oxy)pyrrolidin-1-yl)propan-1-one
CID 90166687
US10759793, Example 95
CID 124125760

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 123528079) is 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is Cc1ccc2ncc(-c3nc(NC4CCCN(C(=O)CC#N)C4)cc(OCCN4CCOCC4)n3)n2c1.
What is the InChIKey of 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is FWDGZWJCHHAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-19-4-5-23-28-16-21(34(23)17-19)26-30-22(29-20-3-2-8-33(18-20)25(35)6-7-27)15-24(31-26)37-14-11-32-9-12-36-13-10-32/h4-5,15-17,20H,2-3,6,8-14,18H2,1H3,(H,29,30,31).
What are the key properties of 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 504.60 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(6-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 123528079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).