N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C26H30N6O4 — CID 90011718

IUPACN-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(c2[nH]ncc2C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C26H30N6O4/c1-16(33)32-7-3-18(15-32)23-20(13-29-30-23)25(35)31-8-4-26(5-9-31)11-19(26)12-28-24(34)21-10-17-2-6-27-14-22(17)36-21/h2,6,10,13-14,18-19H,3-5,7-9,11-12,15H2,1H3,(H,28,34)(H,29,30)
InChIKeyRRSOJLCPACMTTM-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.56
Rot. Bonds5

About N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90011718) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90011718
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC NameN-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(c2[nH]ncc2C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1
InChIInChI=1S/C26H30N6O4/c1-16(33)32-7-3-18(15-32)23-20(13-29-30-23)25(35)31-8-4-26(5-9-31)11-19(26)12-28-24(34)21-10-17-2-6-27-14-22(17)36-21/h2,6,10,13-14,18-19H,3-5,7-9,11-12,15H2,1H3,(H,28,34)(H,29,30)
InChIKeyRRSOJLCPACMTTM-UHFFFAOYSA-N
XLogP2.56
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-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-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90011718) is N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(=O)N1CCC(c2[nH]ncc2C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)C1.
What is the InChIKey of N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is RRSOJLCPACMTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-16(33)32-7-3-18(15-32)23-20(13-29-30-23)25(35)31-8-4-26(5-9-31)11-19(26)12-28-24(34)21-10-17-2-6-27-14-22(17)36-21/h2,6,10,13-14,18-19H,3-5,7-9,11-12,15H2,1H3,(H,28,34)(H,29,30).
What are the key properties of N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[5-(1-acetylpyrrolidin-3-yl)-1H-pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90011718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).