N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C21H16F3N5O3 — CID 78886996

IUPACN-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)cc12
InChIInChI=1S/C21H16F3N5O3/c1-11-15-7-13(9-25-18(15)29(2)28-11)20(31)27-17-4-3-14(8-16(17)21(22,23)24)26-19(30)12-5-6-32-10-12/h3-10H,1-2H3,(H,26,30)(H,27,31)
InChIKeyQCDVTXKIHXQPRZ-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78886996) has the molecular formula C21H16F3N5O3 and a molecular weight of 443.39 g/mol. Its IUPAC name is N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78886996
Molecular FormulaC21H16F3N5O3
Molecular Weight443.39 g/mol
Exact Mass443.12
IUPAC NameN-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)cc12
InChIInChI=1S/C21H16F3N5O3/c1-11-15-7-13(9-25-18(15)29(2)28-11)20(31)27-17-4-3-14(8-16(17)21(22,23)24)26-19(30)12-5-6-32-10-12/h3-10H,1-2H3,(H,26,30)(H,27,31)
InChIKeyQCDVTXKIHXQPRZ-UHFFFAOYSA-N
XLogP4.39
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839498
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782284
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78886996) is N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)cc12.
What is the InChIKey of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is QCDVTXKIHXQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3/c1-11-15-7-13(9-25-18(15)29(2)28-11)20(31)27-17-4-3-14(8-16(17)21(22,23)24)26-19(30)12-5-6-32-10-12/h3-10H,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 443.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78886996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).