N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

C23H24N6O3 — CID 167420010

IUPACN-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC12CC(c3cn4cc(C(=O)N/C(=C/N)c5ncccn5)c(OC5CC5)cc4n3)(CO1)C2
InChIInChI=1S/C23H24N6O3/c1-22-11-23(12-22,13-31-22)18-10-29-9-15(17(7-19(29)28-18)32-14-3-4-14)21(30)27-16(8-24)20-25-5-2-6-26-20/h2,5-10,14H,3-4,11-13,24H2,1H3,(H,27,30)/b16-8+
InChIKeyHJSBRTGKKAETEO-LZYBPNLTSA-N
MW432.48 g/mol
LogP2.17
Rot. Bonds6

About N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420010) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID167420010
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC12CC(c3cn4cc(C(=O)N/C(=C/N)c5ncccn5)c(OC5CC5)cc4n3)(CO1)C2
InChIInChI=1S/C23H24N6O3/c1-22-11-23(12-22,13-31-22)18-10-29-9-15(17(7-19(29)28-18)32-14-3-4-14)21(30)27-16(8-24)20-25-5-2-6-26-20/h2,5-10,14H,3-4,11-13,24H2,1H3,(H,27,30)/b16-8+
InChIKeyHJSBRTGKKAETEO-LZYBPNLTSA-N
XLogP2.17
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167420159
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 155436964
phenyl 7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 175737272
7-cyclopropyloxy-N-[1-(2-fluorocyclopropyl)-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 164554748
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167420281
7-(difluoromethoxy)-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167420134
N-[2-(difluoromethoxy)-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155443924
7-cyclobutyloxy-N-[1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 164555072
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-[1-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167420300
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 164555001
phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 167420174
N-(5-fluoro-2-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 167420058

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 167420010) is N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is CC12CC(c3cn4cc(C(=O)N/C(=C/N)c5ncccn5)c(OC5CC5)cc4n3)(CO1)C2.
What is the InChIKey of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HJSBRTGKKAETEO-LZYBPNLTSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-22-11-23(12-22,13-31-22)18-10-29-9-15(17(7-19(29)28-18)32-14-3-4-14)21(30)27-16(8-24)20-25-5-2-6-26-20/h2,5-10,14H,3-4,11-13,24H2,1H3,(H,27,30)/b16-8+.
What are the key properties of N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-amino-1-pyrimidin-2-ylethenyl]-7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).