4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide

C23H28N6O3 — CID 165414895

IUPAC4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3cccc(OC)c3)nc2C1
InChIInChI=1S/C23H28N6O3/c1-5-27(2)23(31)18-13-24-28(3)21(18)22(30)25-16-9-10-29-14-19(26-20(29)12-16)15-7-6-8-17(11-15)32-4/h6-8,11,13-14,16H,5,9-10,12H2,1-4H3,(H,25,30)/t16-/m1/s1
InChIKeyZHVIXBKRXYENIR-MRXNPFEDSA-N
MW436.52 g/mol
LogP2.13
Rot. Bonds6

About 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide

4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (PubChem CID 165414895) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
PubChem CID165414895
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3cccc(OC)c3)nc2C1
InChIInChI=1S/C23H28N6O3/c1-5-27(2)23(31)18-13-24-28(3)21(18)22(30)25-16-9-10-29-14-19(26-20(29)12-16)15-7-6-8-17(11-15)32-4/h6-8,11,13-14,16H,5,9-10,12H2,1-4H3,(H,25,30)/t16-/m1/s1
InChIKeyZHVIXBKRXYENIR-MRXNPFEDSA-N
XLogP2.13
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (CID 165414895) is 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is CCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3cccc(OC)c3)nc2C1.
What is the InChIKey of 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The InChIKey is ZHVIXBKRXYENIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-5-27(2)23(31)18-13-24-28(3)21(18)22(30)25-16-9-10-29-14-19(26-20(29)12-16)15-7-6-8-17(11-15)32-4/h6-8,11,13-14,16H,5,9-10,12H2,1-4H3,(H,25,30)/t16-/m1/s1.
What are the key properties of 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).