6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine

C25H28N6S — CID 143593538

IUPAC6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine
SMILESCN(C)CC1(c2cc(-c3ccc(NSc4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1
InChIInChI=1S/C25H28N6S/c1-30(2)16-25(13-14-25)21-15-20(22-23(26)28-31(3)24(22)27-21)17-9-11-18(12-10-17)29-32-19-7-5-4-6-8-19/h4-12,15,29H,13-14,16H2,1-3H3,(H2,26,28)
InChIKeyYFAASXDHZZCSAY-UHFFFAOYSA-N
MW444.61 g/mol
LogP4.93
Rot. Bonds7

About 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine

6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 143593538) has the molecular formula C25H28N6S and a molecular weight of 444.61 g/mol. Its IUPAC name is 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine
PubChem CID143593538
Molecular FormulaC25H28N6S
Molecular Weight444.61 g/mol
Exact Mass444.21
IUPAC Name6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine
SMILESCN(C)CC1(c2cc(-c3ccc(NSc4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1
InChIInChI=1S/C25H28N6S/c1-30(2)16-25(13-14-25)21-15-20(22-23(26)28-31(3)24(22)27-21)17-9-11-18(12-10-17)29-32-19-7-5-4-6-8-19/h4-12,15,29H,13-14,16H2,1-3H3,(H2,26,28)
InChIKeyYFAASXDHZZCSAY-UHFFFAOYSA-N
XLogP4.93
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[3-amino-4-[4-(benzenesulfinamido)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylate
CID 143593484
1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-ethylcyclopropane-1-carboxamide
CID 24889102
1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
CID 24889618
1-methyl-4-phenyl-6-(2-phenylcyclopropyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141201294
N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 59463690
acetic acid;1-[4-[3-amino-6-[(1S)-2,2-dimethylcyclobutyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143593578
N-[4-(3-amino-6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59463693
N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 59463711
methyl 2-[3-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2,2-dimethylcyclobutyl]acetate
CID 24889949
1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]urea
CID 162552273
N-[1-[1-methyl-3-(methylideneamino)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]acetamide
CID 147745111
2-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-cyclopropyl-2-methylpropanamide
CID 59592736

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine (CID 143593538) is 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine is CN(C)CC1(c2cc(-c3ccc(NSc4ccccc4)cc3)c3c(N)nn(C)c3n2)CC1.
What is the InChIKey of 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is YFAASXDHZZCSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6S/c1-30(2)16-25(13-14-25)21-15-20(22-23(26)28-31(3)24(22)27-21)17-9-11-18(12-10-17)29-32-19-7-5-4-6-8-19/h4-12,15,29H,13-14,16H2,1-3H3,(H2,26,28).
What are the key properties of 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine?
6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 444.61 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(dimethylamino)methyl]cyclopropyl]-1-methyl-4-[4-(phenylsulfanylamino)phenyl]pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 143593538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).