6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C20H17ClFN5O3 — CID 122510517

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3C(CO)CO)cn12
InChIInChI=1S/C20H17ClFN5O3/c21-14-5-11(1-3-15(14)22)18-19(27(10-25-18)13(8-28)9-29)12-2-4-17-24-6-16(20(23)30)26(17)7-12/h1-7,10,13,28-29H,8-9H2,(H2,23,30)
InChIKeyKUXJINJKQXVKIZ-UHFFFAOYSA-N
MW429.84 g/mol
LogP2.28
Rot. Bonds6

About 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510517) has the molecular formula C20H17ClFN5O3 and a molecular weight of 429.84 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510517
Molecular FormulaC20H17ClFN5O3
Molecular Weight429.84 g/mol
Exact Mass429.10
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3C(CO)CO)cn12
InChIInChI=1S/C20H17ClFN5O3/c21-14-5-11(1-3-15(14)22)18-19(27(10-25-18)13(8-28)9-29)12-2-4-17-24-6-16(20(23)30)26(17)7-12/h1-7,10,13,28-29H,8-9H2,(H2,23,30)
InChIKeyKUXJINJKQXVKIZ-UHFFFAOYSA-N
XLogP2.28
TPSA118.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510517) is 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3C(CO)CO)cn12.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KUXJINJKQXVKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O3/c21-14-5-11(1-3-15(14)22)18-19(27(10-25-18)13(8-28)9-29)12-2-4-17-24-6-16(20(23)30)26(17)7-12/h1-7,10,13,28-29H,8-9H2,(H2,23,30).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 429.84 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-(1,3-dihydroxypropan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).