N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide

C20H18F2N6O — CID 153167112

IUPACN-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCCCc1cc(F)c(-c2cc3c(NC(=O)c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H18F2N6O/c1-3-4-11-5-14(21)18(15(22)6-11)16-7-13-17(9-23-16)26-27-19(13)25-20(29)12-8-24-28(2)10-12/h5-10H,3-4H2,1-2H3,(H2,25,26,27,29)
InChIKeyWDMDWCNSOANDKS-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.84
Rot. Bonds5

About N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide

N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 153167112) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID153167112
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC NameN-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCCCc1cc(F)c(-c2cc3c(NC(=O)c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H18F2N6O/c1-3-4-11-5-14(21)18(15(22)6-11)16-7-13-17(9-23-16)26-27-19(13)25-20(29)12-8-24-28(2)10-12/h5-10H,3-4H2,1-2H3,(H2,25,26,27,29)
InChIKeyWDMDWCNSOANDKS-UHFFFAOYSA-N
XLogP3.84
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[5-[2,6-difluoro-4-(3-methylbutyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methoxybenzamide
CID 148886600
methyl 4-[4-[[5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
CID 134328226
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
3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
CID 157132062
1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol
CID 158943505
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
N-[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(propylamino)benzamide
CID 135308466
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
ethyl 4-[4-[[5-(1,5-dimethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]carbamoyl]phenyl]piperazine-1-carboxylate
CID 135308449
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide (CID 153167112) is N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide is CCCc1cc(F)c(-c2cc3c(NC(=O)c4cnn(C)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is WDMDWCNSOANDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-3-4-11-5-14(21)18(15(22)6-11)16-7-13-17(9-23-16)26-27-19(13)25-20(29)12-8-24-28(2)10-12/h5-10H,3-4H2,1-2H3,(H2,25,26,27,29).
What are the key properties of N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 153167112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).