N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide

C29H26F2N6O2 — CID 154972812

IUPACN-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc(-c3ccc(F)cc3F)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)c2)C1
InChIInChI=1S/C29H26F2N6O2/c1-35-16-21(14-33-35)18-5-8-37-27(15-32-28(37)12-18)20-9-19(25-4-3-22(30)13-26(25)31)10-23(11-20)34-29(38)36-7-6-24(17-36)39-2/h3-5,8-16,24H,6-7,17H2,1-2H3,(H,34,38)
InChIKeyFWALJEQZIZXFFE-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.60
Rot. Bonds5

About N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide

N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide (PubChem CID 154972812) has the molecular formula C29H26F2N6O2 and a molecular weight of 528.56 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide
PubChem CID154972812
Molecular FormulaC29H26F2N6O2
Molecular Weight528.56 g/mol
Exact Mass528.21
IUPAC NameN-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc(-c3ccc(F)cc3F)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)c2)C1
InChIInChI=1S/C29H26F2N6O2/c1-35-16-21(14-33-35)18-5-8-37-27(15-32-28(37)12-18)20-9-19(25-4-3-22(30)13-26(25)31)10-23(11-20)34-29(38)36-7-6-24(17-36)39-2/h3-5,8-16,24H,6-7,17H2,1-2H3,(H,34,38)
InChIKeyFWALJEQZIZXFFE-UHFFFAOYSA-N
XLogP5.60
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide (CID 154972812) is N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide is COC1CCN(C(=O)Nc2cc(-c3ccc(F)cc3F)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)c2)C1.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide?
The InChIKey is FWALJEQZIZXFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O2/c1-35-16-21(14-33-35)18-5-8-37-27(15-32-28(37)12-18)20-9-19(25-4-3-22(30)13-26(25)31)10-23(11-20)34-29(38)36-7-6-24(17-36)39-2/h3-5,8-16,24H,6-7,17H2,1-2H3,(H,34,38).
What are the key properties of N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide?
N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide has a molecular weight of 528.56 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 154972812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).