1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C21H30ClN5O2 — CID 171667015

IUPAC1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCl.Cn1nc(C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)c2cccnc21
InChIInChI=1S/C21H29N5O2.ClH/c1-21(2,3)26-13-15(12-17(26)27)20(28)25-10-7-14(8-11-25)18-16-6-5-9-22-19(16)24(4)23-18;/h5-6,9,14-15H,7-8,10-13H2,1-4H3;1H
InChIKeyKAAKPEXYJZKVDA-UHFFFAOYSA-N
MW419.96 g/mol
LogP2.74
Rot. Bonds2

About 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 171667015) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID171667015
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCl.Cn1nc(C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)c2cccnc21
InChIInChI=1S/C21H29N5O2.ClH/c1-21(2,3)26-13-15(12-17(26)27)20(28)25-10-7-14(8-11-25)18-16-6-5-9-22-19(16)24(4)23-18;/h5-6,9,14-15H,7-8,10-13H2,1-4H3;1H
InChIKeyKAAKPEXYJZKVDA-UHFFFAOYSA-N
XLogP2.74
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92566407
[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 92583314
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110092565
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97126858
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17118887
(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 97112054
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 171667015) is 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is Cl.Cn1nc(C2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)c2cccnc21.
What is the InChIKey of 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is KAAKPEXYJZKVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.ClH/c1-21(2,3)26-13-15(12-17(26)27)20(28)25-10-7-14(8-11-25)18-16-6-5-9-22-19(16)24(4)23-18;/h5-6,9,14-15H,7-8,10-13H2,1-4H3;1H.
What are the key properties of 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 171667015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).