N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

C33H29F3N6O3 — CID 71282965

IUPACN-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(OCCN5CCCC5)nc4)ccn23)c1
InChIInChI=1S/C33H29F3N6O3/c34-25-6-3-21(15-27(25)36)18-39-32(43)23-4-7-26(35)28(16-23)40-33(44)29-20-37-30-17-22(9-12-42(29)30)24-5-8-31(38-19-24)45-14-13-41-10-1-2-11-41/h3-9,12,15-17,19-20H,1-2,10-11,13-14,18H2,(H,39,43)(H,40,44)
InChIKeyBPBUSXMXDOZHCU-UHFFFAOYSA-N
MW614.63 g/mol
LogP5.47
Rot. Bonds10

About N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282965) has the molecular formula C33H29F3N6O3 and a molecular weight of 614.63 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282965
Molecular FormulaC33H29F3N6O3
Molecular Weight614.63 g/mol
Exact Mass614.23
IUPAC NameN-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(OCCN5CCCC5)nc4)ccn23)c1
InChIInChI=1S/C33H29F3N6O3/c34-25-6-3-21(15-27(25)36)18-39-32(43)23-4-7-26(35)28(16-23)40-33(44)29-20-37-30-17-22(9-12-42(29)30)24-5-8-31(38-19-24)45-14-13-41-10-1-2-11-41/h3-9,12,15-17,19-20H,1-2,10-11,13-14,18H2,(H,39,43)(H,40,44)
InChIKeyBPBUSXMXDOZHCU-UHFFFAOYSA-N
XLogP5.47
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.63
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282965) is N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(OCCN5CCCC5)nc4)ccn23)c1.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BPBUSXMXDOZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F3N6O3/c34-25-6-3-21(15-27(25)36)18-39-32(43)23-4-7-26(35)28(16-23)40-33(44)29-20-37-30-17-22(9-12-42(29)30)24-5-8-31(38-19-24)45-14-13-41-10-1-2-11-41/h3-9,12,15-17,19-20H,1-2,10-11,13-14,18H2,(H,39,43)(H,40,44).
What are the key properties of N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 614.63 g/mol, XLogP of 5.47, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).