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

C20H22F3N5O3 — CID 154655189

IUPACN-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C20H22F3N5O3/c1-2-31-17-8-18-24-14(7-13-4-6-30-11-13)9-27(18)10-16(17)25-19(29)15-3-5-28(26-15)12-20(21,22)23/h3,5,8-10,13H,2,4,6-7,11-12H2,1H3,(H,25,29)
InChIKeyDOAYRNLSBZAMMH-UHFFFAOYSA-N
MW437.42 g/mol
LogP3.32
Rot. Bonds7

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

N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 154655189) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID154655189
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC NameN-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C20H22F3N5O3/c1-2-31-17-8-18-24-14(7-13-4-6-30-11-13)9-27(18)10-16(17)25-19(29)15-3-5-28(26-15)12-20(21,22)23/h3,5,8-10,13H,2,4,6-7,11-12H2,1H3,(H,25,29)
InChIKeyDOAYRNLSBZAMMH-UHFFFAOYSA-N
XLogP3.32
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 57505514
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CID 25127854
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CID 57505501
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CID 154655118

Frequently Asked Questions

What is the IUPAC name of N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 154655189) is N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is DOAYRNLSBZAMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-2-31-17-8-18-24-14(7-13-4-6-30-11-13)9-27(18)10-16(17)25-19(29)15-3-5-28(26-15)12-20(21,22)23/h3,5,8-10,13H,2,4,6-7,11-12H2,1H3,(H,25,29).
What are the key properties of N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 154655189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).