(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

C27H34N4O3 — CID 46493324

IUPAC(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1
InChIInChI=1S/C27H34N4O3/c1-16-24-20(15-21(17-9-10-17)28-25(24)31(29-16)27(2,3)4)26(32)30-13-7-8-22(30)19-14-18(33-5)11-12-23(19)34-6/h11-12,14-15,17,22H,7-10,13H2,1-6H3
InChIKeyGILDAEYLLUPMJE-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.37
Rot. Bonds5

About (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 46493324) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID46493324
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1
InChIInChI=1S/C27H34N4O3/c1-16-24-20(15-21(17-9-10-17)28-25(24)31(29-16)27(2,3)4)26(32)30-13-7-8-22(30)19-14-18(33-5)11-12-23(19)34-6/h11-12,14-15,17,22H,7-10,13H2,1-6H3
InChIKeyGILDAEYLLUPMJE-UHFFFAOYSA-N
XLogP5.37
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 46514691
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 46485233
N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119421790
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55761507
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 17441475
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78884160
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 55685739
methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
CID 55755035
1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55754895
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 43050422
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398868
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 46493324) is (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(OC)c(C2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1.
What is the InChIKey of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GILDAEYLLUPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-16-24-20(15-21(17-9-10-17)28-25(24)31(29-16)27(2,3)4)26(32)30-13-7-8-22(30)19-14-18(33-5)11-12-23(19)34-6/h11-12,14-15,17,22H,7-10,13H2,1-6H3.
What are the key properties of (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 462.59 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46493324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).