N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide

C23H20ClF4N5O3 — CID 171628255

IUPACN-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESO=C(CNC(=O)C(F)(F)F)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C23H20ClF4N5O3/c24-14-6-13(7-15(25)8-14)16-3-5-32(21(35)17-2-1-4-33-12-29-9-19(17)33)11-18(16)31-20(34)10-30-22(36)23(26,27)28/h1-2,4,6-9,12,16,18H,3,5,10-11H2,(H,30,36)(H,31,34)/t16-,18+/m0/s1
InChIKeyJTFUZYAAZRFGIW-FUHWJXTLSA-N
MW525.89 g/mol
LogP2.92
Rot. Bonds5

About N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide

N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide (PubChem CID 171628255) has the molecular formula C23H20ClF4N5O3 and a molecular weight of 525.89 g/mol. Its IUPAC name is N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide
PubChem CID171628255
Molecular FormulaC23H20ClF4N5O3
Molecular Weight525.89 g/mol
Exact Mass525.12
IUPAC NameN-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESO=C(CNC(=O)C(F)(F)F)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C23H20ClF4N5O3/c24-14-6-13(7-15(25)8-14)16-3-5-32(21(35)17-2-1-4-33-12-29-9-19(17)33)11-18(16)31-20(34)10-30-22(36)23(26,27)28/h1-2,4,6-9,12,16,18H,3,5,10-11H2,(H,30,36)(H,31,34)/t16-,18+/m0/s1
InChIKeyJTFUZYAAZRFGIW-FUHWJXTLSA-N
XLogP2.92
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.89
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide with MolForge

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CID 10410905

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide (CID 171628255) is N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide is O=C(CNC(=O)C(F)(F)F)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1.
What is the InChIKey of N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The InChIKey is JTFUZYAAZRFGIW-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H20ClF4N5O3/c24-14-6-13(7-15(25)8-14)16-3-5-32(21(35)17-2-1-4-33-12-29-9-19(17)33)11-18(16)31-20(34)10-30-22(36)23(26,27)28/h1-2,4,6-9,12,16,18H,3,5,10-11H2,(H,30,36)(H,31,34)/t16-,18+/m0/s1.
What are the key properties of N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide?
N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide has a molecular weight of 525.89 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171628255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).