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

C26H29ClFN5O2 — CID 171628076

IUPACN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C26H29ClFN5O2/c27-19-11-18(12-20(28)13-19)21-6-10-32(26(35)22-5-4-9-33-17-29-14-24(22)33)15-23(21)30-25(34)16-31-7-2-1-3-8-31/h4-5,9,11-14,17,21,23H,1-3,6-8,10,15-16H2,(H,30,34)/t21-,23+/m0/s1
InChIKeySLLWXIDIFGCJII-JTHBVZDNSA-N
MW498.00 g/mol
LogP3.73
Rot. Bonds5

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

N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide (PubChem CID 171628076) has the molecular formula C26H29ClFN5O2 and a molecular weight of 498.00 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide
PubChem CID171628076
Molecular FormulaC26H29ClFN5O2
Molecular Weight498.00 g/mol
Exact Mass497.20
IUPAC NameN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C26H29ClFN5O2/c27-19-11-18(12-20(28)13-19)21-6-10-32(26(35)22-5-4-9-33-17-29-14-24(22)33)15-23(21)30-25(34)16-31-7-2-1-3-8-31/h4-5,9,11-14,17,21,23H,1-3,6-8,10,15-16H2,(H,30,34)/t21-,23+/m0/s1
InChIKeySLLWXIDIFGCJII-JTHBVZDNSA-N
XLogP3.73
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.00
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide (CID 171628076) is N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1.
What is the InChIKey of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide?
The InChIKey is SLLWXIDIFGCJII-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H29ClFN5O2/c27-19-11-18(12-20(28)13-19)21-6-10-32(26(35)22-5-4-9-33-17-29-14-24(22)33)15-23(21)30-25(34)16-31-7-2-1-3-8-31/h4-5,9,11-14,17,21,23H,1-3,6-8,10,15-16H2,(H,30,34)/t21-,23+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide?
N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide has a molecular weight of 498.00 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 171628076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).