N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide

C24H21N7O4 — CID 177372272

IUPACN-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccco5)n4)cc3n2)cnc1OC
InChIInChI=1S/C24H21N7O4/c1-33-19-11-15(13-26-24(19)34-2)17-8-9-31-22(28-17)12-21(30-31)29-20-7-3-5-16(27-20)14-25-23(32)18-6-4-10-35-18/h3-13H,14H2,1-2H3,(H,25,32)(H,27,29,30)
InChIKeyKFBBYMDWDSZYSP-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.47
Rot. Bonds8

About N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide

N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide (PubChem CID 177372272) has the molecular formula C24H21N7O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide
PubChem CID177372272
Molecular FormulaC24H21N7O4
Molecular Weight471.48 g/mol
Exact Mass471.17
IUPAC NameN-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide
SMILESCOc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccco5)n4)cc3n2)cnc1OC
InChIInChI=1S/C24H21N7O4/c1-33-19-11-15(13-26-24(19)34-2)17-8-9-31-22(28-17)12-21(30-31)29-20-7-3-5-16(27-20)14-25-23(32)18-6-4-10-35-18/h3-13H,14H2,1-2H3,(H,25,32)(H,27,29,30)
InChIKeyKFBBYMDWDSZYSP-UHFFFAOYSA-N
XLogP3.47
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 177372276
6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 171783748
6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 171783754
6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]amino]-N-(2-fluoroethyl)pyridine-2-carboxamide
CID 171783749
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]furan-2-carboxamide
CID 22517208
N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide
CID 91068337
N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 110780466
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 153302459
2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide
CID 95801603
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
N-[2-[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111589410
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide (CID 177372272) is N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide is COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccco5)n4)cc3n2)cnc1OC.
What is the InChIKey of N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide?
The InChIKey is KFBBYMDWDSZYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O4/c1-33-19-11-15(13-26-24(19)34-2)17-8-9-31-22(28-17)12-21(30-31)29-20-7-3-5-16(27-20)14-25-23(32)18-6-4-10-35-18/h3-13H,14H2,1-2H3,(H,25,32)(H,27,29,30).
What are the key properties of N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide?
N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[5-(5,6-dimethoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]amino]-2-pyridinyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 177372272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).