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

C27H34N6O3 — CID 90011705

IUPACN-[[6-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)N1CCC(n2cc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cn2)C1
InChIInChI=1S/C27H34N6O3/c1-18(2)32-8-4-22(17-32)33-16-20(13-30-33)26(35)31-9-5-27(6-10-31)12-21(27)14-29-25(34)23-11-19-3-7-28-15-24(19)36-23/h3,7,11,13,15-16,18,21-22H,4-6,8-10,12,14,17H2,1-2H3,(H,29,34)
InChIKeySESBLVUFEHRFBM-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.35
Rot. Bonds6

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

N-[[6-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90011705) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[[6-[1-(1-propan-2-ylpyrrolidin-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-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90011705
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC NameN-[[6-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)N1CCC(n2cc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cn2)C1
InChIInChI=1S/C27H34N6O3/c1-18(2)32-8-4-22(17-32)33-16-20(13-30-33)26(35)31-9-5-27(6-10-31)12-21(27)14-29-25(34)23-11-19-3-7-28-15-24(19)36-23/h3,7,11,13,15-16,18,21-22H,4-6,8-10,12,14,17H2,1-2H3,(H,29,34)
InChIKeySESBLVUFEHRFBM-UHFFFAOYSA-N
XLogP3.35
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[1-(1-propan-2-ylpyrrolidin-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-propan-2-ylpyrrolidin-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-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90011705) is N-[[6-[1-(1-propan-2-ylpyrrolidin-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-propan-2-ylpyrrolidin-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-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(C)N1CCC(n2cc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cn2)C1.
What is the InChIKey of N-[[6-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SESBLVUFEHRFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-18(2)32-8-4-22(17-32)33-16-20(13-30-33)26(35)31-9-5-27(6-10-31)12-21(27)14-29-25(34)23-11-19-3-7-28-15-24(19)36-23/h3,7,11,13,15-16,18,21-22H,4-6,8-10,12,14,17H2,1-2H3,(H,29,34).
What are the key properties of N-[[6-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[1-(1-propan-2-ylpyrrolidin-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 490.61 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(1-propan-2-ylpyrrolidin-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 90011705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).