N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

C26H24F3N5O2 — CID 90442624

IUPACN-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1
InChIInChI=1S/C26H24F3N5O2/c1-15-6-7-19(32-25(35)17-4-3-5-18(10-17)26(27,28)29)11-20(15)21-12-22-23(31-14-30-22)24(33-21)34-8-9-36-13-16(34)2/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,30,31)(H,32,35)/t16-/m1/s1
InChIKeyBBXBZRCZNLRJMB-MRXNPFEDSA-N
MW495.51 g/mol
LogP5.43
Rot. Bonds4

About N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90442624) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90442624
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC NameN-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1
InChIInChI=1S/C26H24F3N5O2/c1-15-6-7-19(32-25(35)17-4-3-5-18(10-17)26(27,28)29)11-20(15)21-12-22-23(31-14-30-22)24(33-21)34-8-9-36-13-16(34)2/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,30,31)(H,32,35)/t16-/m1/s1
InChIKeyBBXBZRCZNLRJMB-MRXNPFEDSA-N
XLogP5.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 90442624) is N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1.
What is the InChIKey of N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BBXBZRCZNLRJMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-15-6-7-19(32-25(35)17-4-3-5-18(10-17)26(27,28)29)11-20(15)21-12-22-23(31-14-30-22)24(33-21)34-8-9-36-13-16(34)2/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,30,31)(H,32,35)/t16-/m1/s1.
What are the key properties of N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 495.51 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90442624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).