1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol

C24H34N4O — CID 158225486

IUPAC1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol
SMILESCCCCN(C)Cc1cccc(-c2cc(C(O)CC)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C24H34N4O/c1-6-8-12-27(5)16-18-10-9-11-19(13-18)22-14-20(23(29)7-2)21-15-25-28(17(3)4)24(21)26-22/h9-11,13-15,17,23,29H,6-8,12,16H2,1-5H3
InChIKeyGDTATDVMGYCTMD-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.35
Rot. Bonds9

About 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol

1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol (PubChem CID 158225486) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol
PubChem CID158225486
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol
SMILESCCCCN(C)Cc1cccc(-c2cc(C(O)CC)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C24H34N4O/c1-6-8-12-27(5)16-18-10-9-11-19(13-18)22-14-20(23(29)7-2)21-15-25-28(17(3)4)24(21)26-22/h9-11,13-15,17,23,29H,6-8,12,16H2,1-5H3
InChIKeyGDTATDVMGYCTMD-UHFFFAOYSA-N
XLogP5.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[3-[1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]butan-1-amine
CID 160836521
1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-3-propan-2-ylurea
CID 161196366
ethyl 6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 131980780
N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
CID 131980598
N'-[[3-[4-[[methoxy(methyl)amino]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 131980848
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973250
1-benzyl-6-[3-[[butyl(methyl)amino]methyl]phenyl]-N-[(1S)-1-phenylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 158500786
3-[methyl-[[3-[4-(oxan-4-ylcarbamoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]amino]propyl carbamate
CID 118958753
6-[3-[[2-(cyclopropylamino)ethyl-methylamino]methyl]phenyl]-N-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131980856
(3-fluoropyrrolidin-1-yl)-[6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 131980732
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131980580
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 131973239

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol?
The IUPAC name of 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol (CID 158225486) is 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol.
What is the SMILES notation for 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol?
The canonical SMILES for 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol is CCCCN(C)Cc1cccc(-c2cc(C(O)CC)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol?
The InChIKey is GDTATDVMGYCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-6-8-12-27(5)16-18-10-9-11-19(13-18)22-14-20(23(29)7-2)21-15-25-28(17(3)4)24(21)26-22/h9-11,13-15,17,23,29H,6-8,12,16H2,1-5H3.
What are the key properties of 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol?
1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol has a molecular weight of 394.56 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-[[butyl(methyl)amino]methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]propan-1-ol is sourced from PubChem (CID 158225486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).