N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C27H23ClF3N5O2 — CID 134278624

IUPACN-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1=CN=C2N1C=C(C=C2Cl)C(=O)N3CC[C@H]([C@H](C3)C4=CC=CC=C4)NC(=O)C5=C(C=CC=N5)C(F)(F)F
InChIInChI=1S/C27H23ClF3N5O2/c1-16-13-33-24-21(28)12-18(14-36(16)24)26(38)35-11-9-22(19(15-35)17-6-3-2-4-7-17)34-25(37)23-20(27(29,30)31)8-5-10-32-23/h2-8,10,12-14,19,22H,9,11,15H2,1H3,(H,34,37)/t19-,22-/m1/s1
InChIKeyAVMLDOHMVVVPOU-DENIHFKCSA-N
MW541.90 g/mol
LogP5.30
Rot. Bonds4

About N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134278624) has the molecular formula C27H23ClF3N5O2 and a molecular weight of 541.90 g/mol. Its IUPAC name is N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134278624
Molecular FormulaC27H23ClF3N5O2
Molecular Weight541.90 g/mol
Exact Mass541.15
IUPAC NameN-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1=CN=C2N1C=C(C=C2Cl)C(=O)N3CC[C@H]([C@H](C3)C4=CC=CC=C4)NC(=O)C5=C(C=CC=N5)C(F)(F)F
InChIInChI=1S/C27H23ClF3N5O2/c1-16-13-33-24-21(28)12-18(14-36(16)24)26(38)35-11-9-22(19(15-35)17-6-3-2-4-7-17)34-25(37)23-20(27(29,30)31)8-5-10-32-23/h2-8,10,12-14,19,22H,9,11,15H2,1H3,(H,34,37)/t19-,22-/m1/s1
InChIKeyAVMLDOHMVVVPOU-DENIHFKCSA-N
XLogP5.30
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity857

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pf-06273340
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CID 10095455
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4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
N-{5-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}-2-(4-Chlorophenyl)acetamide
CID 124219454
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
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PF-06446846
CID 86271238
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CID 44137901
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-3-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 134278624) is N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CC1=CN=C2N1C=C(C=C2Cl)C(=O)N3CC[C@H]([C@H](C3)C4=CC=CC=C4)NC(=O)C5=C(C=CC=N5)C(F)(F)F.
What is the InChIKey of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AVMLDOHMVVVPOU-DENIHFKCSA-N. The full InChI is InChI=1S/C27H23ClF3N5O2/c1-16-13-33-24-21(28)12-18(14-36(16)24)26(38)35-11-9-22(19(15-35)17-6-3-2-4-7-17)34-25(37)23-20(27(29,30)31)8-5-10-32-23/h2-8,10,12-14,19,22H,9,11,15H2,1H3,(H,34,37)/t19-,22-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 541.90 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134278624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).