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

C23H26N6O2 — CID 165414894

IUPAC4-N-cyclopropyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1)C1CC1
InChIInChI=1S/C23H26N6O2/c1-27(17-8-9-17)23(31)18-13-24-28(2)21(18)22(30)25-16-10-11-29-14-19(26-20(29)12-16)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyGISBTMBYSSANDP-MRXNPFEDSA-N
MW418.50 g/mol
LogP2.26
Rot. Bonds5

About 4-N-cyclopropyl-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-cyclopropyl-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 165414894) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-N-cyclopropyl-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-cyclopropyl-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 CID165414894
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-N-cyclopropyl-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
SMILESCN(C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1)C1CC1
InChIInChI=1S/C23H26N6O2/c1-27(17-8-9-17)23(31)18-13-24-28(2)21(18)22(30)25-16-10-11-29-14-19(26-20(29)12-16)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyGISBTMBYSSANDP-MRXNPFEDSA-N
XLogP2.26
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 165414894) is 4-N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 CN(C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-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 GISBTMBYSSANDP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-27(17-8-9-17)23(31)18-13-24-28(2)21(18)22(30)25-16-10-11-29-14-19(26-20(29)12-16)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1.
What are the key properties of 4-N-cyclopropyl-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-cyclopropyl-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 418.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-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 165414894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).