[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

C23H29N5O — CID 119594956

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C23H29N5O/c1-15(2)28-22-20(13-25-28)19(12-21(26-22)17-8-5-4-6-9-17)23(29)27-11-7-10-18(14-27)16(3)24/h4-6,8-9,12-13,15-16,18H,7,10-11,14,24H2,1-3H3
InChIKeyKBQAAUXJGVCGNR-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.88
Rot. Bonds4

About [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 119594956) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID119594956
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C23H29N5O/c1-15(2)28-22-20(13-25-28)19(12-21(26-22)17-8-5-4-6-9-17)23(29)27-11-7-10-18(14-27)16(3)24/h4-6,8-9,12-13,15-16,18H,7,10-11,14,24H2,1-3H3
InChIKeyKBQAAUXJGVCGNR-UHFFFAOYSA-N
XLogP3.88
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119596507
[3-(methylamino)piperidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119491906
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
2-[(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-2-yl]acetamide
CID 97211737
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757
[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

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 119594956) is [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is CC(N)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is KBQAAUXJGVCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-15(2)28-22-20(13-25-28)19(12-21(26-22)17-8-5-4-6-9-17)23(29)27-11-7-10-18(14-27)16(3)24/h4-6,8-9,12-13,15-16,18H,7,10-11,14,24H2,1-3H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 391.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 119594956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).