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

C20H20F2N6 — CID 134328080

IUPACN-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H20F2N6/c1-11(2)23-7-12-4-15(21)19(16(22)5-12)17-6-14-18(9-24-17)26-27-20(14)13-8-25-28(3)10-13/h4-6,8-11,23H,7H2,1-3H3,(H,26,27)
InChIKeyNVITVKIPYWGYDR-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.80
Rot. Bonds5

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

N-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine (PubChem CID 134328080) has the molecular formula C20H20F2N6 and a molecular weight of 382.42 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]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine
PubChem CID134328080
Molecular FormulaC20H20F2N6
Molecular Weight382.42 g/mol
Exact Mass382.17
IUPAC NameN-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H20F2N6/c1-11(2)23-7-12-4-15(21)19(16(22)5-12)17-6-14-18(9-24-17)26-27-20(14)13-8-25-28(3)10-13/h4-6,8-11,23H,7H2,1-3H3,(H,26,27)
InChIKeyNVITVKIPYWGYDR-UHFFFAOYSA-N
XLogP3.80
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine (CID 134328080) is N-[[3,5-difluoro-4-[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-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine?
The InChIKey is NVITVKIPYWGYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6/c1-11(2)23-7-12-4-15(21)19(16(22)5-12)17-6-14-18(9-24-17)26-27-20(14)13-8-25-28(3)10-13/h4-6,8-11,23H,7H2,1-3H3,(H,26,27).
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]methyl]propan-2-amine?
N-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]propan-2-amine has a molecular weight of 382.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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]methyl]propan-2-amine is sourced from PubChem (CID 134328080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).