N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H22N6O3 — CID 118621338

IUPACN-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1cn3cccnc3n1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H22N6O3/c30-20(18-10-15-2-6-24-13-19(15)32-18)26-12-16-11-23(16)3-8-28(9-4-23)21(31)17-14-29-7-1-5-25-22(29)27-17/h1-2,5-7,10,13-14,16H,3-4,8-9,11-12H2,(H,26,30)
InChIKeyXMYWOEITKVSWCW-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.54
Rot. Bonds4

About N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118621338) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118621338
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1cn3cccnc3n1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H22N6O3/c30-20(18-10-15-2-6-24-13-19(15)32-18)26-12-16-11-23(16)3-8-28(9-4-23)21(31)17-14-29-7-1-5-25-22(29)27-17/h1-2,5-7,10,13-14,16H,3-4,8-9,11-12H2,(H,26,30)
InChIKeyXMYWOEITKVSWCW-UHFFFAOYSA-N
XLogP2.54
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118621338) is N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)c1cn3cccnc3n1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XMYWOEITKVSWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-20(18-10-15-2-6-24-13-19(15)32-18)26-12-16-11-23(16)3-8-28(9-4-23)21(31)17-14-29-7-1-5-25-22(29)27-17/h1-2,5-7,10,13-14,16H,3-4,8-9,11-12H2,(H,26,30).
What are the key properties of N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).