N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C24H30FN5O3 — CID 166594417

IUPACN-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1NNC3CC(F)CCC31)CC2)c1cc2ccncc2o1
InChIInChI=1S/C24H30FN5O3/c25-16-1-2-17-18(10-16)28-29-21(17)23(32)30-7-4-24(5-8-30)11-15(24)12-27-22(31)19-9-14-3-6-26-13-20(14)33-19/h3,6,9,13,15-18,21,28-29H,1-2,4-5,7-8,10-12H2,(H,27,31)
InChIKeyHQDWMWZKSMEGRF-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.17
Rot. Bonds4

About N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 166594417) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID166594417
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC NameN-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)C1NNC3CC(F)CCC31)CC2)c1cc2ccncc2o1
InChIInChI=1S/C24H30FN5O3/c25-16-1-2-17-18(10-16)28-29-21(17)23(32)30-7-4-24(5-8-30)11-15(24)12-27-22(31)19-9-14-3-6-26-13-20(14)33-19/h3,6,9,13,15-18,21,28-29H,1-2,4-5,7-8,10-12H2,(H,27,31)
InChIKeyHQDWMWZKSMEGRF-UHFFFAOYSA-N
XLogP2.17
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 166594417) is N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)C1NNC3CC(F)CCC31)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HQDWMWZKSMEGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c25-16-1-2-17-18(10-16)28-29-21(17)23(32)30-7-4-24(5-8-30)11-15(24)12-27-22(31)19-9-14-3-6-26-13-20(14)33-19/h3,6,9,13,15-18,21,28-29H,1-2,4-5,7-8,10-12H2,(H,27,31).
What are the key properties of N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166594417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).