N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide

C21H19ClF2N4O2 — CID 171628305

IUPACN-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)C(F)F
InChIInChI=1S/C21H19ClF2N4O2/c22-14-4-1-3-13(9-14)15-6-8-27(11-17(15)26-20(29)19(23)24)21(30)16-5-2-7-28-12-25-10-18(16)28/h1-5,7,9-10,12,15,17,19H,6,8,11H2,(H,26,29)/t15-,17+/m0/s1
InChIKeyVZSYQGDMKCTOBY-DOTOQJQBSA-N
MW432.86 g/mol
LogP3.37
Rot. Bonds4

About N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide

N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide (PubChem CID 171628305) has the molecular formula C21H19ClF2N4O2 and a molecular weight of 432.86 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide
PubChem CID171628305
Molecular FormulaC21H19ClF2N4O2
Molecular Weight432.86 g/mol
Exact Mass432.12
IUPAC NameN-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)C(F)F
InChIInChI=1S/C21H19ClF2N4O2/c22-14-4-1-3-13(9-14)15-6-8-27(11-17(15)26-20(29)19(23)24)21(30)16-5-2-7-28-12-25-10-18(16)28/h1-5,7,9-10,12,15,17,19H,6,8,11H2,(H,26,29)/t15-,17+/m0/s1
InChIKeyVZSYQGDMKCTOBY-DOTOQJQBSA-N
XLogP3.37
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide (CID 171628305) is N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide is O=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cccc(Cl)c1)C(F)F.
What is the InChIKey of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide?
The InChIKey is VZSYQGDMKCTOBY-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2/c22-14-4-1-3-13(9-14)15-6-8-27(11-17(15)26-20(29)19(23)24)21(30)16-5-2-7-28-12-25-10-18(16)28/h1-5,7,9-10,12,15,17,19H,6,8,11H2,(H,26,29)/t15-,17+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide?
N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide has a molecular weight of 432.86 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 171628305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).