N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride

C19H33Cl2N5O2 — CID 119570237

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C.Cl.Cl
InChIInChI=1S/C19H31N5O2.2ClH/c1-7-19(8-2,11-20)22-15(25)10-9-14-12(3)16-17(21-13(14)4)24(5)23-18(16)26-6;;/h7-11,20H2,1-6H3,(H,22,25);2*1H
InChIKeyBVBOUIYIKYTDIK-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.00
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride (PubChem CID 119570237) has the molecular formula C19H33Cl2N5O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
PubChem CID119570237
Molecular FormulaC19H33Cl2N5O2
Molecular Weight434.41 g/mol
Exact Mass433.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C.Cl.Cl
InChIInChI=1S/C19H31N5O2.2ClH/c1-7-19(8-2,11-20)22-15(25)10-9-14-12(3)16-17(21-13(14)4)24(5)23-18(16)26-6;;/h7-11,20H2,1-6H3,(H,22,25);2*1H
InChIKeyBVBOUIYIKYTDIK-UHFFFAOYSA-N
XLogP3.00
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119607128
N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119641632
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(1-cyanocyclohexyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 87012100
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86970961
1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 119423405

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride (CID 119570237) is N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride is CCC(CC)(CN)NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride?
The InChIKey is BVBOUIYIKYTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.2ClH/c1-7-19(8-2,11-20)22-15(25)10-9-14-12(3)16-17(21-13(14)4)24(5)23-18(16)26-6;;/h7-11,20H2,1-6H3,(H,22,25);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride has a molecular weight of 434.41 g/mol, XLogP of 3.00, 8 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]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119570237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).