N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C20H29Cl2N5O2 — CID 119571803

IUPACN-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C20H27N5O2.2ClH/c1-5-20(6-2,12-21)24-19(26)14-10-16(17-8-7-9-27-17)23-18-15(14)11-22-25(18)13(3)4;;/h7-11,13H,5-6,12,21H2,1-4H3,(H,24,26);2*1H
InChIKeyBNKBEKLIKCOXBQ-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.36
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119571803) has the molecular formula C20H29Cl2N5O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119571803
Molecular FormulaC20H29Cl2N5O2
Molecular Weight442.39 g/mol
Exact Mass441.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.Cl.Cl
InChIInChI=1S/C20H27N5O2.2ClH/c1-5-20(6-2,12-21)24-19(26)14-10-16(17-8-7-9-27-17)23-18-15(14)11-22-25(18)13(3)4;;/h7-11,13H,5-6,12,21H2,1-4H3,(H,24,26);2*1H
InChIKeyBNKBEKLIKCOXBQ-UHFFFAOYSA-N
XLogP4.36
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119575707
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119996921
methyl 2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-2-methylpropanoate
CID 30875618
N-[1-(aminomethyl)cyclopentyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119568202
N-[2-(ethylamino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914644
N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119668480
prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 146084326
N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38206296
6-(furan-2-yl)-N-(oxan-2-yloxy)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60613423
6-(furan-2-yl)-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51291950
N-[4-(ethylcarbamoyl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55802028

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119571803) is N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CCC(CC)(CN)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is BNKBEKLIKCOXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.2ClH/c1-5-20(6-2,12-21)24-19(26)14-10-16(17-8-7-9-27-17)23-18-15(14)11-22-25(18)13(3)4;;/h7-11,13H,5-6,12,21H2,1-4H3,(H,24,26);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 442.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119571803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).