N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

C24H18F3N5O2S — CID 122609185

IUPACN-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(CO)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C24H18F3N5O2S/c1-31-9-8-18(30-31)17-11-19(35-21(17)24(25,26)27)23(34)29-20-16(14-5-3-2-4-6-14)7-10-32-15(13-33)12-28-22(20)32/h2-12,33H,13H2,1H3,(H,29,34)
InChIKeyYGKJDUDQFZQJBQ-UHFFFAOYSA-N
MW497.50 g/mol
LogP5.23
Rot. Bonds5

About N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 122609185) has the molecular formula C24H18F3N5O2S and a molecular weight of 497.50 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID122609185
Molecular FormulaC24H18F3N5O2S
Molecular Weight497.50 g/mol
Exact Mass497.11
IUPAC NameN-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(CO)cnc34)sc2C(F)(F)F)n1
InChIInChI=1S/C24H18F3N5O2S/c1-31-9-8-18(30-31)17-11-19(35-21(17)24(25,26)27)23(34)29-20-16(14-5-3-2-4-6-14)7-10-32-15(13-33)12-28-22(20)32/h2-12,33H,13H2,1H3,(H,29,34)
InChIKeyYGKJDUDQFZQJBQ-UHFFFAOYSA-N
XLogP5.23
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (CID 122609185) is N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ccn4c(CO)cnc34)sc2C(F)(F)F)n1.
What is the InChIKey of N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is YGKJDUDQFZQJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2S/c1-31-9-8-18(30-31)17-11-19(35-21(17)24(25,26)27)23(34)29-20-16(14-5-3-2-4-6-14)7-10-32-15(13-33)12-28-22(20)32/h2-12,33H,13H2,1H3,(H,29,34).
What are the key properties of N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 122609185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).