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

C23H24F2N6O3 — CID 165414948

IUPAC4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)F)nc2C1
InChIInChI=1S/C23H24F2N6O3/c1-29-20(16(12-26-29)22(33)30-8-4-9-30)21(32)27-14-7-10-31-13-17(28-19(31)11-14)15-5-2-3-6-18(15)34-23(24)25/h2-3,5-6,12-14,23H,4,7-11H2,1H3,(H,27,32)/t14-/m1/s1
InChIKeyGSJSPJJVTWIERD-CQSZACIVSA-N
MW470.48 g/mol
LogP2.48
Rot. Bonds6

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

4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414948) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414948
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)F)nc2C1
InChIInChI=1S/C23H24F2N6O3/c1-29-20(16(12-26-29)22(33)30-8-4-9-30)21(32)27-14-7-10-31-13-17(28-19(31)11-14)15-5-2-3-6-18(15)34-23(24)25/h2-3,5-6,12-14,23H,4,7-11H2,1H3,(H,27,32)/t14-/m1/s1
InChIKeyGSJSPJJVTWIERD-CQSZACIVSA-N
XLogP2.48
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.48
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)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414948) is 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]1CCn2cc(-c3ccccc3OC(F)F)nc2C1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is GSJSPJJVTWIERD-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-29-20(16(12-26-29)22(33)30-8-4-9-30)21(32)27-14-7-10-31-13-17(28-19(31)11-14)15-5-2-3-6-18(15)34-23(24)25/h2-3,5-6,12-14,23H,4,7-11H2,1H3,(H,27,32)/t14-/m1/s1.
What are the key properties of 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[(7R)-2-[2-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).