3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide

C27H30FN5O2 — CID 146486267

IUPAC3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)C1
InChIInChI=1S/C27H30FN5O2/c28-20-3-5-21(6-4-20)33-25-13-19-15-30-31-24(19)14-22(25)23(26(33)18-7-10-35-11-8-18)12-17-2-1-9-32(16-17)27(29)34/h3-6,13-15,17-18H,1-2,7-12,16H2,(H2,29,34)(H,30,31)
InChIKeyUQSUFAPITMINBP-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.87
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide

3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide (PubChem CID 146486267) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide
PubChem CID146486267
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC Name3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)C1
InChIInChI=1S/C27H30FN5O2/c28-20-3-5-21(6-4-20)33-25-13-19-15-30-31-24(19)14-22(25)23(26(33)18-7-10-35-11-8-18)12-17-2-1-9-32(16-17)27(29)34/h3-6,13-15,17-18H,1-2,7-12,16H2,(H2,29,34)(H,30,31)
InChIKeyUQSUFAPITMINBP-UHFFFAOYSA-N
XLogP4.87
TPSA89.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide (CID 146486267) is 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide is NC(=O)N1CCCC(Cc2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)C1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide?
The InChIKey is UQSUFAPITMINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c28-20-3-5-21(6-4-20)33-25-13-19-15-30-31-24(19)14-22(25)23(26(33)18-7-10-35-11-8-18)12-17-2-1-9-32(16-17)27(29)34/h3-6,13-15,17-18H,1-2,7-12,16H2,(H2,29,34)(H,30,31).
What are the key properties of 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide?
3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 146486267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).