2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

C28H24ClF2N5O2 — CID 168678817

IUPAC2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(Cl)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C28H24ClF2N5O2/c1-3-24-26(28(38,19-9-5-7-11-22(19)30)20-10-6-8-12-23(20)31)34-25-13-21(29)18(16-36(24)25)27(37)33-17-14-32-35(4-2)15-17/h5-16,38H,3-4H2,1-2H3,(H,33,37)
InChIKeyDZHNRXQFFRSGEI-UHFFFAOYSA-N
MW535.98 g/mol
LogP5.58
Rot. Bonds7

About 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 168678817) has the molecular formula C28H24ClF2N5O2 and a molecular weight of 535.98 g/mol. Its IUPAC name is 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID168678817
Molecular FormulaC28H24ClF2N5O2
Molecular Weight535.98 g/mol
Exact Mass535.16
IUPAC Name2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(Cl)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C28H24ClF2N5O2/c1-3-24-26(28(38,19-9-5-7-11-22(19)30)20-10-6-8-12-23(20)31)34-25-13-21(29)18(16-36(24)25)27(37)33-17-14-32-35(4-2)15-17/h5-16,38H,3-4H2,1-2H3,(H,33,37)
InChIKeyDZHNRXQFFRSGEI-UHFFFAOYSA-N
XLogP5.58
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.98
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 168678817) is 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(Cl)c(C(=O)Nc3cnn(CC)c3)cn12.
What is the InChIKey of 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is DZHNRXQFFRSGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF2N5O2/c1-3-24-26(28(38,19-9-5-7-11-22(19)30)20-10-6-8-12-23(20)31)34-25-13-21(29)18(16-36(24)25)27(37)33-17-14-32-35(4-2)15-17/h5-16,38H,3-4H2,1-2H3,(H,33,37).
What are the key properties of 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 535.98 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-fluorophenyl)-hydroxymethyl]-7-chloro-3-ethyl-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 168678817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).