2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C28H35N5O2 — CID 55781059

IUPAC2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C28H35N5O2/c1-19(2)33-27-24(18-29-33)23(17-25(30-27)22-8-6-20(3)7-9-22)28(35)32-14-10-21(11-15-32)16-26(34)31-12-4-5-13-31/h6-9,17-19,21H,4-5,10-16H2,1-3H3
InChIKeyMPEAHTDPIUSZSD-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.85
Rot. Bonds5

About 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 55781059) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID55781059
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C28H35N5O2/c1-19(2)33-27-24(18-29-33)23(17-25(30-27)22-8-6-20(3)7-9-22)28(35)32-14-10-21(11-15-32)16-26(34)31-12-4-5-13-31/h6-9,17-19,21H,4-5,10-16H2,1-3H3
InChIKeyMPEAHTDPIUSZSD-UHFFFAOYSA-N
XLogP4.85
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 146107671
[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
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
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495889
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
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495276
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 24539678
[4-(methylaminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119542694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 55781059) is 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone is Cc1ccc(-c2cc(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is MPEAHTDPIUSZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-19(2)33-27-24(18-29-33)23(17-25(30-27)22-8-6-20(3)7-9-22)28(35)32-14-10-21(11-15-32)16-26(34)31-12-4-5-13-31/h6-9,17-19,21H,4-5,10-16H2,1-3H3.
What are the key properties of 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 473.62 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55781059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).