[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone

C19H13ClF3N7O — CID 59443883

IUPAC[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2cnc[nH]2)C1
InChIInChI=1S/C19H13ClF3N7O/c20-16-15(18(31)29-2-1-10(7-29)14-6-24-9-25-14)28-17-13(19(21,22)23)3-11(8-30(16)17)12-4-26-27-5-12/h1,3-6,8-9H,2,7H2,(H,24,25)(H,26,27)
InChIKeyWEOKOSKWEGOIGP-UHFFFAOYSA-N
MW447.81 g/mol
LogP3.66
Rot. Bonds3

About [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone

[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 59443883) has the molecular formula C19H13ClF3N7O and a molecular weight of 447.81 g/mol. Its IUPAC name is [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID59443883
Molecular FormulaC19H13ClF3N7O
Molecular Weight447.81 g/mol
Exact Mass447.08
IUPAC Name[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2cnc[nH]2)C1
InChIInChI=1S/C19H13ClF3N7O/c20-16-15(18(31)29-2-1-10(7-29)14-6-24-9-25-14)28-17-13(19(21,22)23)3-11(8-30(16)17)12-4-26-27-5-12/h1,3-6,8-9H,2,7H2,(H,24,25)(H,26,27)
InChIKeyWEOKOSKWEGOIGP-UHFFFAOYSA-N
XLogP3.66
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone (CID 59443883) is [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2cnc[nH]2)C1.
What is the InChIKey of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is WEOKOSKWEGOIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N7O/c20-16-15(18(31)29-2-1-10(7-29)14-6-24-9-25-14)28-17-13(19(21,22)23)3-11(8-30(16)17)12-4-26-27-5-12/h1,3-6,8-9H,2,7H2,(H,24,25)(H,26,27).
What are the key properties of [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone?
[3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 447.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(1H-pyrazol-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1H-imidazol-5-yl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 59443883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).