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

C19H31Cl2N5O — CID 119589030

IUPACN-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NC(CN)C1CCCCC1.Cl.Cl
InChIInChI=1S/C19H29N5O.2ClH/c1-12(2)24-18-15(11-21-24)9-16(13(3)22-18)19(25)23-17(10-20)14-7-5-4-6-8-14;;/h9,11-12,14,17H,4-8,10,20H2,1-3H3,(H,23,25);2*1H
InChIKeyDROGWNBAVJRTEK-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.80
Rot. Bonds5

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

N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119589030) has the molecular formula C19H31Cl2N5O and a molecular weight of 416.40 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119589030
Molecular FormulaC19H31Cl2N5O
Molecular Weight416.40 g/mol
Exact Mass415.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NC(CN)C1CCCCC1.Cl.Cl
InChIInChI=1S/C19H29N5O.2ClH/c1-12(2)24-18-15(11-21-24)9-16(13(3)22-18)19(25)23-17(10-20)14-7-5-4-6-8-14;;/h9,11-12,14,17H,4-8,10,20H2,1-3H3,(H,23,25);2*1H
InChIKeyDROGWNBAVJRTEK-UHFFFAOYSA-N
XLogP3.80
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106737336
N-(2,6-dimethylcyclohexyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78853012
N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938
[4-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119559795
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119422908
N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119639735
[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602
N-(2-amino-1-cyclohexylethyl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 119590078
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119589030) is N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is Cc1nc2c(cnn2C(C)C)cc1C(=O)NC(CN)C1CCCCC1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is DROGWNBAVJRTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O.2ClH/c1-12(2)24-18-15(11-21-24)9-16(13(3)22-18)19(25)23-17(10-20)14-7-5-4-6-8-14;;/h9,11-12,14,17H,4-8,10,20H2,1-3H3,(H,23,25);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 416.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119589030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).