3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide

C29H29N5O3 — CID 168678814

IUPAC3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(OC)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C29H29N5O3/c1-4-24-27(29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21)32-26-16-25(37-3)23(19-34(24)26)28(35)31-22-17-30-33(5-2)18-22/h6-19,36H,4-5H2,1-3H3,(H,31,35)
InChIKeyMGSDPSRUKHJRSK-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.66
Rot. Bonds8

About 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide

3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 168678814) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID168678814
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(OC)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C29H29N5O3/c1-4-24-27(29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21)32-26-16-25(37-3)23(19-34(24)26)28(35)31-22-17-30-33(5-2)18-22/h6-19,36H,4-5H2,1-3H3,(H,31,35)
InChIKeyMGSDPSRUKHJRSK-UHFFFAOYSA-N
XLogP4.66
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide (CID 168678814) is 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide is CCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(OC)c(C(=O)Nc3cnn(CC)c3)cn12.
What is the InChIKey of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MGSDPSRUKHJRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-4-24-27(29(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21)32-26-16-25(37-3)23(19-34(24)26)28(35)31-22-17-30-33(5-2)18-22/h6-19,36H,4-5H2,1-3H3,(H,31,35).
What are the key properties of 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 168678814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).