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

C54H60N12O2 — CID 123326895

IUPAC5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1
InChIInChI=1S/2C27H30N6O/c2*1-19-15-22(17-32-13-11-31(3)12-14-32)25(28-16-19)27(34)29-23-8-6-21(7-9-23)24-18-33-10-4-5-20(2)26(33)30-24/h2*4-10,15-16,18H,11-14,17H2,1-3H3,(H,29,34)
InChIKeySXADZNORLCQDCX-UHFFFAOYSA-N
MW909.16 g/mol
LogP8.03
Rot. Bonds10

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

5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 123326895) has the molecular formula C54H60N12O2 and a molecular weight of 909.16 g/mol. Its IUPAC name is 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
PubChem CID123326895
Molecular FormulaC54H60N12O2
Molecular Weight909.16 g/mol
Exact Mass908.50
IUPAC Name5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1
InChIInChI=1S/2C27H30N6O/c2*1-19-15-22(17-32-13-11-31(3)12-14-32)25(28-16-19)27(34)29-23-8-6-21(7-9-23)24-18-33-10-4-5-20(2)26(33)30-24/h2*4-10,15-16,18H,11-14,17H2,1-3H3,(H,29,34)
InChIKeySXADZNORLCQDCX-UHFFFAOYSA-N
XLogP8.03
TPSA131.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.16
LogP ≤ 58.03
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-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide (CID 123326895) is 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.
What is the InChIKey of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is SXADZNORLCQDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30N6O/c2*1-19-15-22(17-32-13-11-31(3)12-14-32)25(28-16-19)27(34)29-23-8-6-21(7-9-23)24-18-33-10-4-5-20(2)26(33)30-24/h2*4-10,15-16,18H,11-14,17H2,1-3H3,(H,29,34).
What are the key properties of 5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide?
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 909.16 g/mol, XLogP of 8.03, 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-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 123326895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).