tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate

C27H32N6O5 — CID 118621277

IUPACtert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)c2C1
InChIInChI=1S/C27H32N6O5/c1-26(2,3)38-25(36)33-14-18-19(15-33)30-31-22(18)24(35)32-8-5-27(6-9-32)11-17(27)12-29-23(34)20-10-16-4-7-28-13-21(16)37-20/h4,7,10,13,17H,5-6,8-9,11-12,14-15H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyJUAMUSXUQPYWIB-UHFFFAOYSA-N
MW520.59 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate

tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate (PubChem CID 118621277) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
PubChem CID118621277
Molecular FormulaC27H32N6O5
Molecular Weight520.59 g/mol
Exact Mass520.24
IUPAC Nametert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)c2C1
InChIInChI=1S/C27H32N6O5/c1-26(2,3)38-25(36)33-14-18-19(15-33)30-31-22(18)24(35)32-8-5-27(6-9-32)11-17(27)12-29-23(34)20-10-16-4-7-28-13-21(16)37-20/h4,7,10,13,17H,5-6,8-9,11-12,14-15H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyJUAMUSXUQPYWIB-UHFFFAOYSA-N
XLogP3.47
TPSA133.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate (CID 118621277) is tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate is CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)c2C1.
What is the InChIKey of tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
The InChIKey is JUAMUSXUQPYWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-26(2,3)38-25(36)33-14-18-19(15-33)30-31-22(18)24(35)32-8-5-27(6-9-32)11-17(27)12-29-23(34)20-10-16-4-7-28-13-21(16)37-20/h4,7,10,13,17H,5-6,8-9,11-12,14-15H2,1-3H3,(H,29,34)(H,30,31).
What are the key properties of tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate has a molecular weight of 520.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(furo[2,3-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate is sourced from PubChem (CID 118621277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).