6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H24FN5O2 — CID 134801793

IUPAC6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2c1c(C1CCN(C(=O)c3ccccc3F)C1)nn2C
InChIInChI=1S/C23H24FN5O2/c1-25-22(30)16-11-18(13-7-8-13)26-21-19(16)20(27-28(21)2)14-9-10-29(12-14)23(31)15-5-3-4-6-17(15)24/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,25,30)
InChIKeyPRGJCMRQKKKQEF-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.97
Rot. Bonds4

About 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801793) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801793
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2c1c(C1CCN(C(=O)c3ccccc3F)C1)nn2C
InChIInChI=1S/C23H24FN5O2/c1-25-22(30)16-11-18(13-7-8-13)26-21-19(16)20(27-28(21)2)14-9-10-29(12-14)23(31)15-5-3-4-6-17(15)24/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,25,30)
InChIKeyPRGJCMRQKKKQEF-UHFFFAOYSA-N
XLogP2.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803082
6-cyclopropyl-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803718
6-cyclopropyl-N,1-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803146
6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803967
6-cyclopropyl-3-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802011
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802014
3-[1-(3-chlorobenzoyl)piperidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802019
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
N,6-dicyclopropyl-1-methyl-3-piperidin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 118740506
3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802466

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801793) is 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2c1c(C1CCN(C(=O)c3ccccc3F)C1)nn2C.
What is the InChIKey of 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PRGJCMRQKKKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-25-22(30)16-11-18(13-7-8-13)26-21-19(16)20(27-28(21)2)14-9-10-29(12-14)23(31)15-5-3-4-6-17(15)24/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,25,30).
What are the key properties of 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).