N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C21H29Cl2N5O — CID 119641473

IUPACN-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C.Cl.Cl
InChIInChI=1S/C21H27N5O.2ClH/c1-5-21(22,6-2)13-23-20(27)16-12-17(15-10-8-7-9-11-15)24-19-18(16)14(3)25-26(19)4;;/h7-12H,5-6,13,22H2,1-4H3,(H,23,27);2*1H
InChIKeyISPLTLXVUUCYTL-UHFFFAOYSA-N
MW438.40 g/mol
LogP4.03
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119641473) has the molecular formula C21H29Cl2N5O and a molecular weight of 438.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119641473
Molecular FormulaC21H29Cl2N5O
Molecular Weight438.40 g/mol
Exact Mass437.17
IUPAC NameN-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C.Cl.Cl
InChIInChI=1S/C21H27N5O.2ClH/c1-5-21(22,6-2)13-23-20(27)16-12-17(15-10-8-7-9-11-15)24-19-18(16)14(3)25-26(19)4;;/h7-12H,5-6,13,22H2,1-4H3,(H,23,27);2*1H
InChIKeyISPLTLXVUUCYTL-UHFFFAOYSA-N
XLogP4.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-(3-amino-2-methylpropyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119997751
1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522873
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 154806949
1,3-dimethyl-6-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46697755
1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55500586
1,3-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 48733516
1,3-dimethyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55586897
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531897
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119641473) is N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is ISPLTLXVUUCYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O.2ClH/c1-5-21(22,6-2)13-23-20(27)16-12-17(15-10-8-7-9-11-15)24-19-18(16)14(3)25-26(19)4;;/h7-12H,5-6,13,22H2,1-4H3,(H,23,27);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 438.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119641473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).