4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide

C23H23F3N6O3 — CID 165414945

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)(F)F)nc2C1
InChIInChI=1S/C23H23F3N6O3/c1-30-20(16(12-27-30)22(34)31-8-4-9-31)21(33)28-14-7-10-32-13-17(29-19(32)11-14)15-5-2-3-6-18(15)35-23(24,25)26/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,28,33)/t14-/m1/s1
InChIKeyVXELCSXNQVSIJE-CQSZACIVSA-N
MW488.47 g/mol
LogP2.77
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide (PubChem CID 165414945) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
PubChem CID165414945
Molecular FormulaC23H23F3N6O3
Molecular Weight488.47 g/mol
Exact Mass488.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)(F)F)nc2C1
InChIInChI=1S/C23H23F3N6O3/c1-30-20(16(12-27-30)22(34)31-8-4-9-31)21(33)28-14-7-10-32-13-17(29-19(32)11-14)15-5-2-3-6-18(15)35-23(24,25)26/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,28,33)/t14-/m1/s1
InChIKeyVXELCSXNQVSIJE-CQSZACIVSA-N
XLogP2.77
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide (CID 165414945) is 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)(F)F)nc2C1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
The InChIKey is VXELCSXNQVSIJE-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23F3N6O3/c1-30-20(16(12-27-30)22(34)31-8-4-9-31)21(33)28-14-7-10-32-13-17(29-19(32)11-14)15-5-2-3-6-18(15)35-23(24,25)26/h2-3,5-6,12-14H,4,7-11H2,1H3,(H,28,33)/t14-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[(7R)-2-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165414945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).