2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide

C20H20IN5O — CID 172559550

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
SMILESO=C(Nc1cnn2cccnc12)c1ccc(I)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C20H20IN5O/c21-14-2-3-15(17(12-14)25-10-6-20(4-5-20)7-11-25)19(27)24-16-13-23-26-9-1-8-22-18(16)26/h1-3,8-9,12-13H,4-7,10-11H2,(H,24,27)
InChIKeyNUFVMDZCBCCBDX-UHFFFAOYSA-N
MW473.32 g/mol
LogP3.97
Rot. Bonds3

About 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide (PubChem CID 172559550) has the molecular formula C20H20IN5O and a molecular weight of 473.32 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
PubChem CID172559550
Molecular FormulaC20H20IN5O
Molecular Weight473.32 g/mol
Exact Mass473.07
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
SMILESO=C(Nc1cnn2cccnc12)c1ccc(I)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C20H20IN5O/c21-14-2-3-15(17(12-14)25-10-6-20(4-5-20)7-11-25)19(27)24-16-13-23-26-9-1-8-22-18(16)26/h1-3,8-9,12-13H,4-7,10-11H2,(H,24,27)
InChIKeyNUFVMDZCBCCBDX-UHFFFAOYSA-N
XLogP3.97
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide
CID 171484741
N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056141
N-[4-(phenylcarbamoyl)-2-piperidin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 141316907
2-(6-azaspiro[2.5]octan-6-yl)-N-[8-[4-(difluoromethyl)piperidin-1-yl]-3-fluoroimidazo[1,2-a]pyridin-6-yl]-4-iodobenzamide
CID 170784015
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide
CID 167273025
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3-hydroxycyclobutyl)oxy-2-pyridinyl]-4-iodobenzamide
CID 167272423
N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-cyclopropyl-3-(4,4-difluoropiperidin-1-yl)phenyl]-4-iodobenzamide
CID 170179125
N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338344
2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methylquinolin-8-yl)-4-methylsulfanylbenzamide
CID 155780941
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-[6-(3-phenylmethoxycyclobutyl)oxy-2-pyridinyl]benzamide
CID 167272421

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide (CID 172559550) is 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide is O=C(Nc1cnn2cccnc12)c1ccc(I)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
The InChIKey is NUFVMDZCBCCBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20IN5O/c21-14-2-3-15(17(12-14)25-10-6-20(4-5-20)7-11-25)19(27)24-16-13-23-26-9-1-8-22-18(16)26/h1-3,8-9,12-13H,4-7,10-11H2,(H,24,27).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide has a molecular weight of 473.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide is sourced from PubChem (CID 172559550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).