N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C24H21F3N6O2 — CID 90463372

IUPACN-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C24H21F3N6O2/c1-15-2-3-18(30-23(34)16-11-21(24(25,26)27)31-29-13-16)12-19(15)17-10-20(32-6-8-35-9-7-32)22-28-4-5-33(22)14-17/h2-5,10-14H,6-9H2,1H3,(H,30,34)
InChIKeyNKVPTHCZFKPFLR-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.21
Rot. Bonds4

About N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 90463372) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID90463372
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC NameN-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C24H21F3N6O2/c1-15-2-3-18(30-23(34)16-11-21(24(25,26)27)31-29-13-16)12-19(15)17-10-20(32-6-8-35-9-7-32)22-28-4-5-33(22)14-17/h2-5,10-14H,6-9H2,1H3,(H,30,34)
InChIKeyNKVPTHCZFKPFLR-UHFFFAOYSA-N
XLogP4.21
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 90463372) is N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is NKVPTHCZFKPFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-15-2-3-18(30-23(34)16-11-21(24(25,26)27)31-29-13-16)12-19(15)17-10-20(32-6-8-35-9-7-32)22-28-4-5-33(22)14-17/h2-5,10-14H,6-9H2,1H3,(H,30,34).
What are the key properties of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 90463372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).