N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C27H27FN6O2 — CID 11691611

IUPACN-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cc(F)cc(Oc5ccc6c(c5)CCN6)c4)CC3)c12
InChIInChI=1S/C27H27FN6O2/c1-16-14-30-25-24(16)26(32-15-31-25)34-8-5-17(6-9-34)27(35)33-20-11-19(28)12-22(13-20)36-21-2-3-23-18(10-21)4-7-29-23/h2-3,10-15,17,29H,4-9H2,1H3,(H,33,35)(H,30,31,32)
InChIKeyCXPDNCRMOVGMLK-UHFFFAOYSA-N
MW486.55 g/mol
LogP5.02
Rot. Bonds5

About N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 11691611) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID11691611
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC NameN-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cc(F)cc(Oc5ccc6c(c5)CCN6)c4)CC3)c12
InChIInChI=1S/C27H27FN6O2/c1-16-14-30-25-24(16)26(32-15-31-25)34-8-5-17(6-9-34)27(35)33-20-11-19(28)12-22(13-20)36-21-2-3-23-18(10-21)4-7-29-23/h2-3,10-15,17,29H,4-9H2,1H3,(H,33,35)(H,30,31,32)
InChIKeyCXPDNCRMOVGMLK-UHFFFAOYSA-N
XLogP5.02
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[3-(4-fluorophenoxy)phenyl]-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 90832560
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46364219
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 46333852
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(4-fluorophenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912439
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 133469687
N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 11691611) is N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1c[nH]c2ncnc(N3CCC(C(=O)Nc4cc(F)cc(Oc5ccc6c(c5)CCN6)c4)CC3)c12.
What is the InChIKey of N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is CXPDNCRMOVGMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-16-14-30-25-24(16)26(32-15-31-25)34-8-5-17(6-9-34)27(35)33-20-11-19(28)12-22(13-20)36-21-2-3-23-18(10-21)4-7-29-23/h2-3,10-15,17,29H,4-9H2,1H3,(H,33,35)(H,30,31,32).
What are the key properties of N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-indol-5-yloxy)-5-fluorophenyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11691611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).