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

C25H24N6O3 — CID 90012851

IUPACN-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C25H24N6O3/c32-23(20-11-18-5-8-26-14-21(18)34-20)27-13-19-12-25(19)6-9-31(10-7-25)24(33)17-3-1-16(2-4-17)22-28-15-29-30-22/h1-5,8,11,14-15,19H,6-7,9-10,12-13H2,(H,27,32)(H,28,29,30)
InChIKeyVXWZMRRRWDRNRO-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.29
Rot. Bonds5

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

N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012851) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012851
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C25H24N6O3/c32-23(20-11-18-5-8-26-14-21(18)34-20)27-13-19-12-25(19)6-9-31(10-7-25)24(33)17-3-1-16(2-4-17)22-28-15-29-30-22/h1-5,8,11,14-15,19H,6-7,9-10,12-13H2,(H,27,32)(H,28,29,30)
InChIKeyVXWZMRRRWDRNRO-UHFFFAOYSA-N
XLogP3.29
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-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-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012851) is N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is VXWZMRRRWDRNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c32-23(20-11-18-5-8-26-14-21(18)34-20)27-13-19-12-25(19)6-9-31(10-7-25)24(33)17-3-1-16(2-4-17)22-28-15-29-30-22/h1-5,8,11,14-15,19H,6-7,9-10,12-13H2,(H,27,32)(H,28,29,30).
What are the key properties of N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).