1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

C20H23F2N5O3 — CID 154655156

IUPAC1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1ccn(CC(F)F)n1
InChIInChI=1S/C20H23F2N5O3/c1-2-30-17-8-19-23-14(7-13-4-6-29-12-13)9-26(19)10-16(17)24-20(28)15-3-5-27(25-15)11-18(21)22/h3,5,8-10,13,18H,2,4,6-7,11-12H2,1H3,(H,24,28)
InChIKeyFAICHSDJSOUMFE-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.03
Rot. Bonds8

About 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (PubChem CID 154655156) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
PubChem CID154655156
Molecular FormulaC20H23F2N5O3
Molecular Weight419.43 g/mol
Exact Mass419.18
IUPAC Name1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1ccn(CC(F)F)n1
InChIInChI=1S/C20H23F2N5O3/c1-2-30-17-8-19-23-14(7-13-4-6-29-12-13)9-26(19)10-16(17)24-20(28)15-3-5-27(25-15)11-18(21)22/h3,5,8-10,13,18H,2,4,6-7,11-12H2,1H3,(H,24,28)
InChIKeyFAICHSDJSOUMFE-UHFFFAOYSA-N
XLogP3.03
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (CID 154655156) is 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is CCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The InChIKey is FAICHSDJSOUMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-2-30-17-8-19-23-14(7-13-4-6-29-12-13)9-26(19)10-16(17)24-20(28)15-3-5-27(25-15)11-18(21)22/h3,5,8-10,13,18H,2,4,6-7,11-12H2,1H3,(H,24,28).
What are the key properties of 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 154655156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).