4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide

C22H26N6O2 — CID 165414938

IUPAC4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H26N6O2/c1-4-26(2)22(30)17-13-23-27(3)20(17)21(29)24-16-10-11-28-14-18(25-19(28)12-16)15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3,(H,24,29)/t16-/m1/s1
InChIKeyVTCZCBMFPRSPMU-MRXNPFEDSA-N
MW406.49 g/mol
LogP2.12
Rot. Bonds5

About 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide

4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide (PubChem CID 165414938) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
PubChem CID165414938
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H26N6O2/c1-4-26(2)22(30)17-13-23-27(3)20(17)21(29)24-16-10-11-28-14-18(25-19(28)12-16)15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3,(H,24,29)/t16-/m1/s1
InChIKeyVTCZCBMFPRSPMU-MRXNPFEDSA-N
XLogP2.12
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide (CID 165414938) is 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide is CCN(C)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide?
The InChIKey is VTCZCBMFPRSPMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-4-26(2)22(30)17-13-23-27(3)20(17)21(29)24-16-10-11-28-14-18(25-19(28)12-16)15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3,(H,24,29)/t16-/m1/s1.
What are the key properties of 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide?
4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).