N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine

C21H22N8S — CID 123604944

IUPACN-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine
SMILESCCCCNc1ccc2ncc(Sn3ncc4ncc(-c5cnn(C)c5)cc43)n2c1
InChIInChI=1S/C21H22N8S/c1-3-4-7-22-17-5-6-20-24-12-21(28(20)14-17)30-29-19-8-15(9-23-18(19)11-26-29)16-10-25-27(2)13-16/h5-6,8-14,22H,3-4,7H2,1-2H3
InChIKeyLUZNWDIVKQKTHO-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.25
Rot. Bonds7

About N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine

N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine (PubChem CID 123604944) has the molecular formula C21H22N8S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound NameN-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine
PubChem CID123604944
Molecular FormulaC21H22N8S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine
SMILESCCCCNc1ccc2ncc(Sn3ncc4ncc(-c5cnn(C)c5)cc43)n2c1
InChIInChI=1S/C21H22N8S/c1-3-4-7-22-17-5-6-20-24-12-21(28(20)14-17)30-29-19-8-15(9-23-18(19)11-26-29)16-10-25-27(2)13-16/h5-6,8-14,22H,3-4,7H2,1-2H3
InChIKeyLUZNWDIVKQKTHO-UHFFFAOYSA-N
XLogP4.25
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 176991048
1-[(6-methoxyimidazo[1,2-a]pyridin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 121339284
1-(6-chloroimidazo[1,2-a]pyridin-3-yl)sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 144759878
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 71041843
1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 121339192
6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine
CID 163566989
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
CID 68704641
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine
CID 42609197
N-[(4-fluorophenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 122184265
3-iodo-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 154973002
tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 123637248

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine (CID 123604944) is N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine is CCCCNc1ccc2ncc(Sn3ncc4ncc(-c5cnn(C)c5)cc43)n2c1.
What is the InChIKey of N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is LUZNWDIVKQKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8S/c1-3-4-7-22-17-5-6-20-24-12-21(28(20)14-17)30-29-19-8-15(9-23-18(19)11-26-29)16-10-25-27(2)13-16/h5-6,8-14,22H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine?
N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 418.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfanylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 123604944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).