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

C20H26Cl2N6O — CID 120730877

IUPAC(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCNCC1c1cccnc1.Cl.Cl
InChIInChI=1S/C20H24N6O.2ClH/c1-13(2)26-19-16(11-23-26)9-17(14(3)24-19)20(27)25-8-7-22-12-18(25)15-5-4-6-21-10-15;;/h4-6,9-11,13,18,22H,7-8,12H2,1-3H3;2*1H
InChIKeyNXZCEXXWKKRQJU-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.35
Rot. Bonds3

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

(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120730877) has the molecular formula C20H26Cl2N6O and a molecular weight of 437.38 g/mol. Its IUPAC name is (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120730877
Molecular FormulaC20H26Cl2N6O
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC Name(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCNCC1c1cccnc1.Cl.Cl
InChIInChI=1S/C20H24N6O.2ClH/c1-13(2)26-19-16(11-23-26)9-17(14(3)24-19)20(27)25-8-7-22-12-18(25)15-5-4-6-21-10-15;;/h4-6,9-11,13,18,22H,7-8,12H2,1-3H3;2*1H
InChIKeyNXZCEXXWKKRQJU-UHFFFAOYSA-N
XLogP3.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867
[2-(3-fluorophenyl)piperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120736163
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730112
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731575
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120730877) is (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCNCC1c1cccnc1.Cl.Cl.
What is the InChIKey of (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is NXZCEXXWKKRQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O.2ClH/c1-13(2)26-19-16(11-23-26)9-17(14(3)24-19)20(27)25-8-7-22-12-18(25)15-5-4-6-21-10-15;;/h4-6,9-11,13,18,22H,7-8,12H2,1-3H3;2*1H.
What are the key properties of (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 437.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120730877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).