N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

C14H21Cl2N5O2 — CID 120946320

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)c2cnn(C)c2n1.Cl.Cl
InChIInChI=1S/C14H19N5O2.2ClH/c1-8-3-10(11-6-17-19(2)13(11)18-8)14(21)16-5-9-4-15-7-12(9)20;;/h3,6,9,12,15,20H,4-5,7H2,1-2H3,(H,16,21);2*1H
InChIKeyOJDKPSQYSBTYEE-UHFFFAOYSA-N
MW362.26 g/mol
LogP0.43
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120946320) has the molecular formula C14H21Cl2N5O2 and a molecular weight of 362.26 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID120946320
Molecular FormulaC14H21Cl2N5O2
Molecular Weight362.26 g/mol
Exact Mass361.11
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)c2cnn(C)c2n1.Cl.Cl
InChIInChI=1S/C14H19N5O2.2ClH/c1-8-3-10(11-6-17-19(2)13(11)18-8)14(21)16-5-9-4-15-7-12(9)20;;/h3,6,9,12,15,20H,4-5,7H2,1-2H3,(H,16,21);2*1H
InChIKeyOJDKPSQYSBTYEE-UHFFFAOYSA-N
XLogP0.43
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696594
N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86800262
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696307
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696565
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
CID 120945039
6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 56714235
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 120946354
N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822956

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120946320) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1cc(C(=O)NCC2CNCC2O)c2cnn(C)c2n1.Cl.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is OJDKPSQYSBTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.2ClH/c1-8-3-10(11-6-17-19(2)13(11)18-8)14(21)16-5-9-4-15-7-12(9)20;;/h3,6,9,12,15,20H,4-5,7H2,1-2H3,(H,16,21);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 362.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120946320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).