N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide

C21H24FN5O — CID 164812160

IUPACN-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)c(-n3cc4cc(C(C)C)cnc4n3)c2)C1
InChIInChI=1S/C21H24FN5O/c1-13(2)15-8-16-12-27(25-20(16)23-10-15)19-9-17(4-5-18(19)22)24-21(28)26-7-6-14(3)11-26/h4-5,8-10,12-14H,6-7,11H2,1-3H3,(H,24,28)
InChIKeyNNJQWTFGKPZGMF-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.56
Rot. Bonds3

About N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide

N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 164812160) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide
PubChem CID164812160
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)c(-n3cc4cc(C(C)C)cnc4n3)c2)C1
InChIInChI=1S/C21H24FN5O/c1-13(2)15-8-16-12-27(25-20(16)23-10-15)19-9-17(4-5-18(19)22)24-21(28)26-7-6-14(3)11-26/h4-5,8-10,12-14H,6-7,11H2,1-3H3,(H,24,28)
InChIKeyNNJQWTFGKPZGMF-UHFFFAOYSA-N
XLogP4.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide
CID 142486961
2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 142487091
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 142487172
5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 137352918
N-[3-(5-cyclopropylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]azetidine-1-carboxamide
CID 142486932
(3R)-3-fluoro-N-[4-fluoro-3-[5-(trifluoromethyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 146465457
3,5-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 137353120
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide
CID 137353259
N-[4-fluoro-3-[5-(2-methylpropyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 137352878
N-[3-(5-chloropyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 142487033
methyl 2-[[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]carbamoyl]cubane-1-carboxylate
CID 146465785
(3R)-N-[3-[5-(5-azaspiro[2.3]hexan-5-yl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]-3-fluoropyrrolidine-1-carboxamide
CID 137352567

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide (CID 164812160) is N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(F)c(-n3cc4cc(C(C)C)cnc4n3)c2)C1.
What is the InChIKey of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is NNJQWTFGKPZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-13(2)15-8-16-12-27(25-20(16)23-10-15)19-9-17(4-5-18(19)22)24-21(28)26-7-6-14(3)11-26/h4-5,8-10,12-14H,6-7,11H2,1-3H3,(H,24,28).
What are the key properties of N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide?
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 164812160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).