N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide

C25H18F3N5O2 — CID 118408240

IUPACN-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)nc2c(CO)cccn12)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C25H18F3N5O2/c26-25(27,28)19-9-8-16(13-18(19)20-10-11-29-32-20)24(35)31-23-21(15-5-2-1-3-6-15)30-22-17(14-34)7-4-12-33(22)23/h1-13,34H,14H2,(H,29,32)(H,31,35)
InChIKeyWWIMIRXBTHLYDG-UHFFFAOYSA-N
MW477.45 g/mol
LogP5.15
Rot. Bonds5

About N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide

N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118408240) has the molecular formula C25H18F3N5O2 and a molecular weight of 477.45 g/mol. Its IUPAC name is N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118408240
Molecular FormulaC25H18F3N5O2
Molecular Weight477.45 g/mol
Exact Mass477.14
IUPAC NameN-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)nc2c(CO)cccn12)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1
InChIInChI=1S/C25H18F3N5O2/c26-25(27,28)19-9-8-16(13-18(19)20-10-11-29-32-20)24(35)31-23-21(15-5-2-1-3-6-15)30-22-17(14-34)7-4-12-33(22)23/h1-13,34H,14H2,(H,29,32)(H,31,35)
InChIKeyWWIMIRXBTHLYDG-UHFFFAOYSA-N
XLogP5.15
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.45
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118408240) is N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1c(-c2ccccc2)nc2c(CO)cccn12)c1ccc(C(F)(F)F)c(-c2ccn[nH]2)c1.
What is the InChIKey of N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WWIMIRXBTHLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2/c26-25(27,28)19-9-8-16(13-18(19)20-10-11-29-32-20)24(35)31-23-21(15-5-2-1-3-6-15)30-22-17(14-34)7-4-12-33(22)23/h1-13,34H,14H2,(H,29,32)(H,31,35).
What are the key properties of N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide?
N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 477.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118408240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).