N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide

C21H16F2N8O — CID 134327875

IUPACN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(F)c(-c3cc4c(-c5cnn(C)c5)n[nH]c4cn3)c(F)c2)cn1
InChIInChI=1S/C21H16F2N8O/c1-30-9-11(6-25-30)20-14-5-17(24-8-18(14)28-29-20)19-15(22)3-13(4-16(19)23)27-21(32)12-7-26-31(2)10-12/h3-10H,1-2H3,(H,27,32)(H,28,29)
InChIKeyZQOOOYURJLHABR-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.29
Rot. Bonds4

About N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide

N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 134327875) has the molecular formula C21H16F2N8O and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID134327875
Molecular FormulaC21H16F2N8O
Molecular Weight434.41 g/mol
Exact Mass434.14
IUPAC NameN-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(F)c(-c3cc4c(-c5cnn(C)c5)n[nH]c4cn3)c(F)c2)cn1
InChIInChI=1S/C21H16F2N8O/c1-30-9-11(6-25-30)20-14-5-17(24-8-18(14)28-29-20)19-15(22)3-13(4-16(19)23)27-21(32)12-7-26-31(2)10-12/h3-10H,1-2H3,(H,27,32)(H,28,29)
InChIKeyZQOOOYURJLHABR-UHFFFAOYSA-N
XLogP3.29
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide
CID 153167112
[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl] morpholine-4-carboxylate
CID 134327781
3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylpropan-1-amine
CID 149353664
5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 147473475
4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine
CID 175348089
4-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]morpholine
CID 175820266
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
5-[2-fluoro-4-pyrrolidin-2-yl-6-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 134328000
N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine
CID 175348008
1-[4-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]ethanol
CID 175820235
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111285
4-[3-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]propyl]-1,3-oxazole
CID 159429824

Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide (CID 134327875) is N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cc(F)c(-c3cc4c(-c5cnn(C)c5)n[nH]c4cn3)c(F)c2)cn1.
What is the InChIKey of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZQOOOYURJLHABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N8O/c1-30-9-11(6-25-30)20-14-5-17(24-8-18(14)28-29-20)19-15(22)3-13(4-16(19)23)27-21(32)12-7-26-31(2)10-12/h3-10H,1-2H3,(H,27,32)(H,28,29).
What are the key properties of N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide?
N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 134327875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).