N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine

C21H23FN6 — CID 134327941

IUPACN-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)ccc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C21H23FN6/c1-12(2)23-8-14-5-6-17(22)20(13(14)3)18-7-16-19(10-24-18)26-27-21(16)15-9-25-28(4)11-15/h5-7,9-12,23H,8H2,1-4H3,(H,26,27)
InChIKeyAWURNWVAHBERBX-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.97
Rot. Bonds5

About N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine

N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine (PubChem CID 134327941) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine
PubChem CID134327941
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC NameN-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)ccc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C21H23FN6/c1-12(2)23-8-14-5-6-17(22)20(13(14)3)18-7-16-19(10-24-18)26-27-21(16)15-9-25-28(4)11-15/h5-7,9-12,23H,8H2,1-4H3,(H,26,27)
InChIKeyAWURNWVAHBERBX-UHFFFAOYSA-N
XLogP3.97
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine (CID 134327941) is N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine is Cc1c(CNC(C)C)ccc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The InChIKey is AWURNWVAHBERBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6/c1-12(2)23-8-14-5-6-17(22)20(13(14)3)18-7-16-19(10-24-18)26-27-21(16)15-9-25-28(4)11-15/h5-7,9-12,23H,8H2,1-4H3,(H,26,27).
What are the key properties of N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine?
N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine has a molecular weight of 378.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 134327941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).