7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide

C29H26FN5O3 — CID 171627965

IUPAC7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(F)c2[nH]c(C(=O)N[C@@H]3CN(C(=O)c4cccn5cncc45)CC[C@H]3c3ccccc3)cc12
InChIInChI=1S/C29H26FN5O3/c1-38-26-10-9-22(30)27-21(26)14-23(32-27)28(36)33-24-16-34(13-11-19(24)18-6-3-2-4-7-18)29(37)20-8-5-12-35-17-31-15-25(20)35/h2-10,12,14-15,17,19,24,32H,11,13,16H2,1H3,(H,33,36)/t19-,24+/m0/s1
InChIKeyDJUWEUPTXIFCNF-YADARESESA-N
MW511.56 g/mol
LogP4.39
Rot. Bonds5

About 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide

7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 171627965) has the molecular formula C29H26FN5O3 and a molecular weight of 511.56 g/mol. Its IUPAC name is 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID171627965
Molecular FormulaC29H26FN5O3
Molecular Weight511.56 g/mol
Exact Mass511.20
IUPAC Name7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(F)c2[nH]c(C(=O)N[C@@H]3CN(C(=O)c4cccn5cncc45)CC[C@H]3c3ccccc3)cc12
InChIInChI=1S/C29H26FN5O3/c1-38-26-10-9-22(30)27-21(26)14-23(32-27)28(36)33-24-16-34(13-11-19(24)18-6-3-2-4-7-18)29(37)20-8-5-12-35-17-31-15-25(20)35/h2-10,12,14-15,17,19,24,32H,11,13,16H2,1H3,(H,33,36)/t19-,24+/m0/s1
InChIKeyDJUWEUPTXIFCNF-YADARESESA-N
XLogP4.39
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide (CID 171627965) is 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide is COc1ccc(F)c2[nH]c(C(=O)N[C@@H]3CN(C(=O)c4cccn5cncc45)CC[C@H]3c3ccccc3)cc12.
What is the InChIKey of 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is DJUWEUPTXIFCNF-YADARESESA-N. The full InChI is InChI=1S/C29H26FN5O3/c1-38-26-10-9-22(30)27-21(26)14-23(32-27)28(36)33-24-16-34(13-11-19(24)18-6-3-2-4-7-18)29(37)20-8-5-12-35-17-31-15-25(20)35/h2-10,12,14-15,17,19,24,32H,11,13,16H2,1H3,(H,33,36)/t19-,24+/m0/s1.
What are the key properties of 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide?
7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 511.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 171627965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).