N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C20H27Cl2N5O — CID 119497416

IUPACN-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C20H25N5O.2ClH/c1-13(2)25-19-17(12-23-25)16(20(26)22-10-9-14(3)21)11-18(24-19)15-7-5-4-6-8-15;;/h4-8,11-14H,9-10,21H2,1-3H3,(H,22,26);2*1H
InChIKeyPQBMSVYYSPWQFE-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.99
Rot. Bonds6

About N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119497416) has the molecular formula C20H27Cl2N5O and a molecular weight of 424.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119497416
Molecular FormulaC20H27Cl2N5O
Molecular Weight424.38 g/mol
Exact Mass423.16
IUPAC NameN-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C20H25N5O.2ClH/c1-13(2)25-19-17(12-23-25)16(20(26)22-10-9-14(3)21)11-18(24-19)15-7-5-4-6-8-15;;/h4-8,11-14H,9-10,21H2,1-3H3,(H,22,26);2*1H
InChIKeyPQBMSVYYSPWQFE-UHFFFAOYSA-N
XLogP3.99
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119497417
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
6-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27554312
N-(1-amino-2-methylpropan-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119523371
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
N-(4-aminocyclohexyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119476936
3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119348382
6-phenyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119452068
6-(4-methylphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146081561
2-oxopropyl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8897790
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46551293

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119497416) is N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC(N)CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is PQBMSVYYSPWQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O.2ClH/c1-13(2)25-19-17(12-23-25)16(20(26)22-10-9-14(3)21)11-18(24-19)15-7-5-4-6-8-15;;/h4-8,11-14H,9-10,21H2,1-3H3,(H,22,26);2*1H.
What are the key properties of N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 424.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119497416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).