3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride

C19H31Cl2N5O2 — CID 119561739

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCNC1CCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1.Cl.Cl
InChIInChI=1S/C19H29N5O2.2ClH/c1-12-15(6-7-16(25)24-10-8-14(20-3)9-11-24)13(2)21-18-17(12)19(26-5)22-23(18)4;;/h14,20H,6-11H2,1-5H3;2*1H
InChIKeyFGYRKKUXYMFLIU-UHFFFAOYSA-N
MW432.40 g/mol
LogP2.58
Rot. Bonds5

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119561739) has the molecular formula C19H31Cl2N5O2 and a molecular weight of 432.40 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID119561739
Molecular FormulaC19H31Cl2N5O2
Molecular Weight432.40 g/mol
Exact Mass431.19
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCNC1CCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1.Cl.Cl
InChIInChI=1S/C19H29N5O2.2ClH/c1-12-15(6-7-16(25)24-10-8-14(20-3)9-11-24)13(2)21-18-17(12)19(26-5)22-23(18)4;;/h14,20H,6-11H2,1-5H3;2*1H
InChIKeyFGYRKKUXYMFLIU-UHFFFAOYSA-N
XLogP2.58
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 119423405
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55956338
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112820934
N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide
CID 30888762
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 120806197
1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113261
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119570237
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 55904394
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442735

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride (CID 119561739) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride is CNC1CCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1.Cl.Cl.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is FGYRKKUXYMFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2.2ClH/c1-12-15(6-7-16(25)24-10-8-14(20-3)9-11-24)13(2)21-18-17(12)19(26-5)22-23(18)4;;/h14,20H,6-11H2,1-5H3;2*1H.
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 432.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119561739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).