[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

C23H29N5O — CID 146107671

IUPAC[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CC(CN(C)C)C3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C23H29N5O/c1-15(2)28-22-20(11-24-28)19(23(29)27-13-17(14-27)12-26(4)5)10-21(25-22)18-8-6-16(3)7-9-18/h6-11,15,17H,12-14H2,1-5H3
InChIKeyVOURQFVCTXTRTD-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.62
Rot. Bonds5

About [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 146107671) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID146107671
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CC(CN(C)C)C3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C23H29N5O/c1-15(2)28-22-20(11-24-28)19(23(29)27-13-17(14-27)12-26(4)5)10-21(25-22)18-8-6-16(3)7-9-18/h6-11,15,17H,12-14H2,1-5H3
InChIKeyVOURQFVCTXTRTD-UHFFFAOYSA-N
XLogP3.62
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55781059
[3-(methylamino)piperidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119491906
N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55589524
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 30087541
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355904
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495889
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 18135831
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119409294

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 146107671) is [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CC(CN(C)C)C3)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is VOURQFVCTXTRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15(2)28-22-20(11-24-28)19(23(29)27-13-17(14-27)12-26(4)5)10-21(25-22)18-8-6-16(3)7-9-18/h6-11,15,17H,12-14H2,1-5H3.
What are the key properties of [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 146107671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).