N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide

C21H27N5O3 — CID 154655076

IUPACN-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C21H27N5O3/c1-4-29-19-11-20-22-17(15-6-9-28-10-7-15)12-25(20)13-18(19)23-21(27)16-5-8-26(24-16)14(2)3/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,23,27)
InChIKeyZREXPHLBJIGZHC-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.66
Rot. Bonds6

About N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide

N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 154655076) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID154655076
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C21H27N5O3/c1-4-29-19-11-20-22-17(15-6-9-28-10-7-15)12-25(20)13-18(19)23-21(27)16-5-8-26(24-16)14(2)3/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,23,27)
InChIKeyZREXPHLBJIGZHC-UHFFFAOYSA-N
XLogP3.66
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655195
N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydrofuro[2,3-b]pyridine-5-carboxamide
CID 154655849
N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-methoxypyridine-2-carboxamide
CID 154655795
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164991172
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 164996643
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655358
1-(1-methylpyrazol-3-yl)-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164993715
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyphenyl)ethanone
CID 165011161
2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154998218
N-[2-cyclopropyl-7-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655340

Frequently Asked Questions

What is the IUPAC name of N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide (CID 154655076) is N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide is CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1ccn(C(C)C)n1.
What is the InChIKey of N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ZREXPHLBJIGZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-4-29-19-11-20-22-17(15-6-9-28-10-7-15)12-25(20)13-18(19)23-21(27)16-5-8-26(24-16)14(2)3/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,23,27).
What are the key properties of N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 154655076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).