N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide

C20H16ClFN4O2 — CID 129202997

IUPACN-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2cncc(Cl)c12
InChIInChI=1S/C20H16ClFN4O2/c1-12-15(6-7-28-12)20(27)24-19-18-16(21)9-23-10-17(18)26(25-19)11-14-4-2-13(8-22)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,24,25,27)
InChIKeySPCZVWNIOPNJHI-UHFFFAOYSA-N
MW398.83 g/mol
LogP4.76
Rot. Bonds5

About N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide

N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 129202997) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
PubChem CID129202997
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC NameN-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2cncc(Cl)c12
InChIInChI=1S/C20H16ClFN4O2/c1-12-15(6-7-28-12)20(27)24-19-18-16(21)9-23-10-17(18)26(25-19)11-14-4-2-13(8-22)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,24,25,27)
InChIKeySPCZVWNIOPNJHI-UHFFFAOYSA-N
XLogP4.76
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide
CID 118335555
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide
CID 118335335
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335413
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide
CID 118453543
N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 129202995
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 34078119
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118466724
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylfuran-3-carboxamide
CID 4049438
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
CID 159404761
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide
CID 7601278

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide (CID 129202997) is N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2cncc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is SPCZVWNIOPNJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c1-12-15(6-7-28-12)20(27)24-19-18-16(21)9-23-10-17(18)26(25-19)11-14-4-2-13(8-22)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,24,25,27).
What are the key properties of N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide?
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 129202997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).