4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H27F2N7O3 — CID 11598296

IUPAC4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCN(C(N)=O)CC3)c(C(=O)NCc3ccc(OC(F)F)cc3)cnc21
InChIInChI=1S/C23H27F2N7O3/c1-2-32-20-17(13-29-32)19(30-15-7-9-31(10-8-15)23(26)34)18(12-27-20)21(33)28-11-14-3-5-16(6-4-14)35-22(24)25/h3-6,12-13,15,22H,2,7-11H2,1H3,(H2,26,34)(H,27,30)(H,28,33)
InChIKeyGAXLSASSDIGOFT-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.94
Rot. Bonds8

About 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11598296) has the molecular formula C23H27F2N7O3 and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11598296
Molecular FormulaC23H27F2N7O3
Molecular Weight487.51 g/mol
Exact Mass487.21
IUPAC Name4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCN(C(N)=O)CC3)c(C(=O)NCc3ccc(OC(F)F)cc3)cnc21
InChIInChI=1S/C23H27F2N7O3/c1-2-32-20-17(13-29-32)19(30-15-7-9-31(10-8-15)23(26)34)18(12-27-20)21(33)28-11-14-3-5-16(6-4-14)35-22(24)25/h3-6,12-13,15,22H,2,7-11H2,1H3,(H2,26,34)(H,27,30)(H,28,33)
InChIKeyGAXLSASSDIGOFT-UHFFFAOYSA-N
XLogP2.94
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006827
1-ethyl-4-[(4-methoxyiminocyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87654004
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006000
4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[2-(3-chlorophenyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11685188
4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2,4,6-trimethylphenyl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247965
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
4-(cyclobutylamino)-1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011668
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87653063
4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247595
4-(cyclohexylamino)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011671
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006041
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430

Frequently Asked Questions

What is the IUPAC name of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 11598296) is 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCN(C(N)=O)CC3)c(C(=O)NCc3ccc(OC(F)F)cc3)cnc21.
What is the InChIKey of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GAXLSASSDIGOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O3/c1-2-32-20-17(13-29-32)19(30-15-7-9-31(10-8-15)23(26)34)18(12-27-20)21(33)28-11-14-3-5-16(6-4-14)35-22(24)25/h3-6,12-13,15,22H,2,7-11H2,1H3,(H2,26,34)(H,27,30)(H,28,33).
What are the key properties of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11598296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).