(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride

C21H29Cl2N5O2 — CID 120817206

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride
SMILESCC(C)n1ncc2c(C(=O)N3CCC(N)C(C)(C)C3)cc(-c3ccco3)nc21.Cl.Cl
InChIInChI=1S/C21H27N5O2.2ClH/c1-13(2)26-19-15(11-23-26)14(10-16(24-19)17-6-5-9-28-17)20(27)25-8-7-18(22)21(3,4)12-25;;/h5-6,9-11,13,18H,7-8,12,22H2,1-4H3;2*1H
InChIKeyYYGAIIBEMIUTBU-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.32
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride (PubChem CID 120817206) has the molecular formula C21H29Cl2N5O2 and a molecular weight of 454.40 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride
PubChem CID120817206
Molecular FormulaC21H29Cl2N5O2
Molecular Weight454.40 g/mol
Exact Mass453.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride
SMILESCC(C)n1ncc2c(C(=O)N3CCC(N)C(C)(C)C3)cc(-c3ccco3)nc21.Cl.Cl
InChIInChI=1S/C21H27N5O2.2ClH/c1-13(2)26-19-15(11-23-26)14(10-16(24-19)17-6-5-9-28-17)20(27)25-8-7-18(22)21(3,4)12-25;;/h5-6,9-11,13,18H,7-8,12,22H2,1-4H3;2*1H
InChIKeyYYGAIIBEMIUTBU-UHFFFAOYSA-N
XLogP4.32
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 97325176
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 51291729
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815555
1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354813
N-[1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86914730
[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119596507
[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 95143619
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51291906
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933
4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33008288
N,N-diethyl-4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxamide
CID 38719391
(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365882

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride (CID 120817206) is (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride is CC(C)n1ncc2c(C(=O)N3CCC(N)C(C)(C)C3)cc(-c3ccco3)nc21.Cl.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride?
The InChIKey is YYGAIIBEMIUTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.2ClH/c1-13(2)26-19-15(11-23-26)14(10-16(24-19)17-6-5-9-28-17)20(27)25-8-7-18(22)21(3,4)12-25;;/h5-6,9-11,13,18H,7-8,12,22H2,1-4H3;2*1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride has a molecular weight of 454.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 120817206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).