6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C17H27Cl2N5O — CID 120828270

IUPAC6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C17H25N5O.2ClH/c1-10(2)22-16-14(9-20-22)13(7-15(21-16)12-5-6-12)17(23)19-8-11(3)18-4;;/h7,9-12,18H,5-6,8H2,1-4H3,(H,19,23);2*1H
InChIKeySJBYLZGHSRBXOY-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.07
Rot. Bonds6

About 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120828270) has the molecular formula C17H27Cl2N5O and a molecular weight of 388.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID120828270
Molecular FormulaC17H27Cl2N5O
Molecular Weight388.34 g/mol
Exact Mass387.16
IUPAC Name6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C17H25N5O.2ClH/c1-10(2)22-16-14(9-20-22)13(7-15(21-16)12-5-6-12)17(23)19-8-11(3)18-4;;/h7,9-12,18H,5-6,8H2,1-4H3,(H,19,23);2*1H
InChIKeySJBYLZGHSRBXOY-UHFFFAOYSA-N
XLogP3.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
6-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41131764
6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171
6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60571985
6-cyclopropyl-N-[(1R,2S)-2-fluorocyclopropyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 155957595
6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9392413
methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 31840060
N-[4-(carbamoylamino)phenyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33152940
6-cyclopropyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 134025243
1-butan-2-yl-6-methyl-N-[2-(methylamino)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120831658

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120828270) is 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.Cl.Cl.
What is the InChIKey of 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is SJBYLZGHSRBXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.2ClH/c1-10(2)22-16-14(9-20-22)13(7-15(21-16)12-5-6-12)17(23)19-8-11(3)18-4;;/h7,9-12,18H,5-6,8H2,1-4H3,(H,19,23);2*1H.
What are the key properties of 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120828270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).