N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C18H25F3N6O3 — CID 155965372

IUPACN,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(CCN)CCN)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N6O.C2HF3O2/c1-10-14-12(16(23)22(7-5-17)8-6-18)9-13(11-3-4-11)19-15(14)21(2)20-10;3-2(4,5)1(6)7/h9,11H,3-8,17-18H2,1-2H3;(H,6,7)
InChIKeyHVBYUMKHWSMINO-UHFFFAOYSA-N
MW430.43 g/mol
LogP1.15
Rot. Bonds6

About N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155965372) has the molecular formula C18H25F3N6O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155965372
Molecular FormulaC18H25F3N6O3
Molecular Weight430.43 g/mol
Exact Mass430.19
IUPAC NameN,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N(CCN)CCN)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N6O.C2HF3O2/c1-10-14-12(16(23)22(7-5-17)8-6-18)9-13(11-3-4-11)19-15(14)21(2)20-10;3-2(4,5)1(6)7/h9,11H,3-8,17-18H2,1-2H3;(H,6,7)
InChIKeyHVBYUMKHWSMINO-UHFFFAOYSA-N
XLogP1.15
TPSA140.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1924550
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CID 9269197
6-Cyclopropyl-N-(2-(dimethylamino)ethyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 9503864
N-(5-(4-(4,4-difluoropiperidine-1-carbonyl(phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58374847
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 68295468
6-cyclopropyl-N-[2-(diethylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78791029
N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119382070
6-methyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119499985
6-cyclopropyl-N-[3-(dimethylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 133934440
N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166626433
1-tert-butyl-N-[2-(dimethylamino)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 166626713
N-(1-aminopropan-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166627324

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155965372) is N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(CCN)CCN)c12.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HVBYUMKHWSMINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.C2HF3O2/c1-10-14-12(16(23)22(7-5-17)8-6-18)9-13(11-3-4-11)19-15(14)21(2)20-10;3-2(4,5)1(6)7/h9,11H,3-8,17-18H2,1-2H3;(H,6,7).
What are the key properties of N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 430.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155965372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).