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

C25H30N6O3 — CID 90012250

IUPACN-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CCC(n2cc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cn2)C1
InChIInChI=1S/C25H30N6O3/c1-29-7-3-20(16-29)31-15-18(12-28-31)24(33)30-8-4-25(5-9-30)11-19(25)13-27-23(32)21-10-17-2-6-26-14-22(17)34-21/h2,6,10,12,14-15,19-20H,3-5,7-9,11,13,16H2,1H3,(H,27,32)
InChIKeyGNFUFNQIHKRHGF-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.57
Rot. Bonds5

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

N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012250) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012250
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN1CCC(n2cc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cn2)C1
InChIInChI=1S/C25H30N6O3/c1-29-7-3-20(16-29)31-15-18(12-28-31)24(33)30-8-4-25(5-9-30)11-19(25)13-27-23(32)21-10-17-2-6-26-14-22(17)34-21/h2,6,10,12,14-15,19-20H,3-5,7-9,11,13,16H2,1H3,(H,27,32)
InChIKeyGNFUFNQIHKRHGF-UHFFFAOYSA-N
XLogP2.57
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[1-(1-methylpyrrolidin-3-yl)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-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012250) is N-[[6-[1-(1-methylpyrrolidin-3-yl)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-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CN1CCC(n2cc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cn2)C1.
What is the InChIKey of N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GNFUFNQIHKRHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-29-7-3-20(16-29)31-15-18(12-28-31)24(33)30-8-4-25(5-9-30)11-19(25)13-27-23(32)21-10-17-2-6-26-14-22(17)34-21/h2,6,10,12,14-15,19-20H,3-5,7-9,11,13,16H2,1H3,(H,27,32).
What are the key properties of N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).