5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C52H63N11O6 — CID 123196939

IUPAC5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n(C(C)(C)Cc2cc3cc(C(=O)NCC4CC5(CCCN(C(=O)c6cnn(C7CCN(C)C7)c6)CC5)C4)oc3cn2)n1
InChIInChI=1S/C52H63N11O6/c1-33-18-41(49(67)61-16-10-52(11-17-61)24-38(52)28-56-47(65)42-20-35-6-12-53-29-44(35)68-42)63(58-33)50(2,3)25-39-19-36-21-43(69-45(36)30-54-39)46(64)55-26-34-22-51(23-34)8-5-13-60(15-9-51)48(66)37-27-57-62(31-37)40-7-14-59(4)32-40/h6,12,18-21,27,29-31,34,38,40H,5,7-11,13-17,22-26,28,32H2,1-4H3,(H,55,64)(H,56,65)
InChIKeyBNDIAAYEQNNAGK-UHFFFAOYSA-N
MW938.15 g/mol
LogP6.65
Rot. Bonds12

About 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 123196939) has the molecular formula C52H63N11O6 and a molecular weight of 938.15 g/mol. Its IUPAC name is 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID123196939
Molecular FormulaC52H63N11O6
Molecular Weight938.15 g/mol
Exact Mass937.50
IUPAC Name5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n(C(C)(C)Cc2cc3cc(C(=O)NCC4CC5(CCCN(C(=O)c6cnn(C7CCN(C)C7)c6)CC5)C4)oc3cn2)n1
InChIInChI=1S/C52H63N11O6/c1-33-18-41(49(67)61-16-10-52(11-17-61)24-38(52)28-56-47(65)42-20-35-6-12-53-29-44(35)68-42)63(58-33)50(2,3)25-39-19-36-21-43(69-45(36)30-54-39)46(64)55-26-34-22-51(23-34)8-5-13-60(15-9-51)48(66)37-27-57-62(31-37)40-7-14-59(4)32-40/h6,12,18-21,27,29-31,34,38,40H,5,7-11,13-17,22-26,28,32H2,1-4H3,(H,55,64)(H,56,65)
InChIKeyBNDIAAYEQNNAGK-UHFFFAOYSA-N
XLogP6.65
TPSA189.76 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.15
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-
CID 90012239
US11485745, Example 223
CID 118621372
N-[[6-[1,2-dimethyl-5-(trifluoromethyl)pyrazol-2-ium-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 145741294
US10730889, Example 67
CID 71715692
US10730889, Example 114
CID 89784389
US10730889, Example 106
CID 89784392
US10730889, Example 126
CID 89784517
US10730889, Example 107
CID 89784629
US10730889, Example 63
CID 89784784
US10730889, Example 110
CID 89784820
US10730889, Example 116
CID 89785021
US10730889, Example 181
CID 89785192

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 123196939) is 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n(C(C)(C)Cc2cc3cc(C(=O)NCC4CC5(CCCN(C(=O)c6cnn(C7CCN(C)C7)c6)CC5)C4)oc3cn2)n1.
What is the InChIKey of 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is BNDIAAYEQNNAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H63N11O6/c1-33-18-41(49(67)61-16-10-52(11-17-61)24-38(52)28-56-47(65)42-20-35-6-12-53-29-44(35)68-42)63(58-33)50(2,3)25-39-19-36-21-43(69-45(36)30-54-39)46(64)55-26-34-22-51(23-34)8-5-13-60(15-9-51)48(66)37-27-57-62(31-37)40-7-14-59(4)32-40/h6,12,18-21,27,29-31,34,38,40H,5,7-11,13-17,22-26,28,32H2,1-4H3,(H,55,64)(H,56,65).
What are the key properties of 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 938.15 g/mol, XLogP of 6.65, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-3-methylpyrazol-1-yl]-2-methylpropyl]-N-[[8-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-8-azaspiro[3.6]decan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 123196939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).