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

C22H25FN6O2 — CID 165414915

IUPAC4-N-(2-fluoroethyl)-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(CCF)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H25FN6O2/c1-27(11-9-23)22(31)17-13-24-28(2)20(17)21(30)25-16-8-10-29-14-18(26-19(29)12-16)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyKWTYNNDFHJYHCX-MRXNPFEDSA-N
MW424.48 g/mol
LogP2.07
Rot. Bonds6

About 4-N-(2-fluoroethyl)-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-(2-fluoroethyl)-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 165414915) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-N-(2-fluoroethyl)-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-(2-fluoroethyl)-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 CID165414915
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name4-N-(2-fluoroethyl)-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(CCF)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C22H25FN6O2/c1-27(11-9-23)22(31)17-13-24-28(2)20(17)21(30)25-16-8-10-29-14-18(26-19(29)12-16)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
InChIKeyKWTYNNDFHJYHCX-MRXNPFEDSA-N
XLogP2.07
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-fluoroethyl)-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-(2-fluoroethyl)-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-(2-fluoroethyl)-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 165414915) is 4-N-(2-fluoroethyl)-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-(2-fluoroethyl)-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-(2-fluoroethyl)-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(CCF)C(=O)c1cnn(C)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-N-(2-fluoroethyl)-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 KWTYNNDFHJYHCX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-27(11-9-23)22(31)17-13-24-28(2)20(17)21(30)25-16-8-10-29-14-18(26-19(29)12-16)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1.
What are the key properties of 4-N-(2-fluoroethyl)-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-(2-fluoroethyl)-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 424.48 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoroethyl)-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 165414915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).