(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride

C16H25Cl2N5O — CID 75526408

IUPAC(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCC(N)CC2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-10(2)21-15-14(9-18-21)13(8-11(3)19-15)16(22)20-6-4-12(17)5-7-20;;/h8-10,12H,4-7,17H2,1-3H3;2*1H
InChIKeyDYHJTBVVFIYSAB-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.73
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride

(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride (PubChem CID 75526408) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
PubChem CID75526408
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCC(N)CC2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-10(2)21-15-14(9-18-21)13(8-11(3)19-15)16(22)20-6-4-12(17)5-7-20;;/h8-10,12H,4-7,17H2,1-3H3;2*1H
InChIKeyDYHJTBVVFIYSAB-UHFFFAOYSA-N
XLogP2.73
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride (CID 75526408) is (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride is Cc1cc(C(=O)N2CCC(N)CC2)c2cnn(C(C)C)c2n1.Cl.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride?
The InChIKey is DYHJTBVVFIYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.2ClH/c1-10(2)21-15-14(9-18-21)13(8-11(3)19-15)16(22)20-6-4-12(17)5-7-20;;/h8-10,12H,4-7,17H2,1-3H3;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 75526408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).