5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide

C52H54N10O4 — CID 123532196

IUPAC5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1
InChIInChI=1S/2C26H27N5O2/c2*1-18-14-21(16-30-10-12-33-13-11-30)24(27-15-18)26(32)28-22-7-5-20(6-8-22)23-17-31-9-3-4-19(2)25(31)29-23/h2*3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,32)
InChIKeyWHZUVNNFNSDKGR-UHFFFAOYSA-N
MW883.07 g/mol
LogP8.20
Rot. Bonds10

About 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide

5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 123532196) has the molecular formula C52H54N10O4 and a molecular weight of 883.07 g/mol. Its IUPAC name is 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID123532196
Molecular FormulaC52H54N10O4
Molecular Weight883.07 g/mol
Exact Mass882.43
IUPAC Name5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1
InChIInChI=1S/2C26H27N5O2/c2*1-18-14-21(16-30-10-12-33-13-11-30)24(27-15-18)26(32)28-22-7-5-20(6-8-22)23-17-31-9-3-4-19(2)25(31)29-23/h2*3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,32)
InChIKeyWHZUVNNFNSDKGR-UHFFFAOYSA-N
XLogP8.20
TPSA143.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide (CID 123532196) is 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.
What is the InChIKey of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is WHZUVNNFNSDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27N5O2/c2*1-18-14-21(16-30-10-12-33-13-11-30)24(27-15-18)26(32)28-22-7-5-20(6-8-22)23-17-31-9-3-4-19(2)25(31)29-23/h2*3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,32).
What are the key properties of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 883.07 g/mol, XLogP of 8.20, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(morpholin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 123532196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).