N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C28H22F3N5O2 — CID 118408509

IUPACN-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C5(O)CC5)ccn34)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H22F3N5O2/c1-35-13-10-22(34-35)20-15-18(7-8-21(20)28(29,30)31)26(37)33-25-24(17-5-3-2-4-6-17)32-23-16-19(9-14-36(23)25)27(38)11-12-27/h2-10,13-16,38H,11-12H2,1H3,(H,33,37)
InChIKeyQPRRZNJGERUQSB-UHFFFAOYSA-N
MW517.51 g/mol
LogP5.65
Rot. Bonds5

About N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118408509) has the molecular formula C28H22F3N5O2 and a molecular weight of 517.51 g/mol. Its IUPAC name is N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118408509
Molecular FormulaC28H22F3N5O2
Molecular Weight517.51 g/mol
Exact Mass517.17
IUPAC NameN-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C5(O)CC5)ccn34)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H22F3N5O2/c1-35-13-10-22(34-35)20-15-18(7-8-21(20)28(29,30)31)26(37)33-25-24(17-5-3-2-4-6-17)32-23-16-19(9-14-36(23)25)27(38)11-12-27/h2-10,13-16,38H,11-12H2,1H3,(H,33,37)
InChIKeyQPRRZNJGERUQSB-UHFFFAOYSA-N
XLogP5.65
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118408509) is N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C5(O)CC5)ccn34)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is QPRRZNJGERUQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N5O2/c1-35-13-10-22(34-35)20-15-18(7-8-21(20)28(29,30)31)26(37)33-25-24(17-5-3-2-4-6-17)32-23-16-19(9-14-36(23)25)27(38)11-12-27/h2-10,13-16,38H,11-12H2,1H3,(H,33,37).
What are the key properties of N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 517.51 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-hydroxycyclopropyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118408509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).