4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

C19H14F2N8 — CID 58459371

IUPAC4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccnc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H14F2N8/c1-10(27-17-14(8-22)16(23)25-9-26-17)18-28-15-3-2-4-24-19(15)29(18)13-6-11(20)5-12(21)7-13/h2-7,9-10H,1H3,(H3,23,25,26,27)/t10-/m0/s1
InChIKeySOFIJGDSGPVCSB-JTQLQIEISA-N
MW392.37 g/mol
LogP3.12
Rot. Bonds4

About 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 58459371) has the molecular formula C19H14F2N8 and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID58459371
Molecular FormulaC19H14F2N8
Molecular Weight392.37 g/mol
Exact Mass392.13
IUPAC Name4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccnc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H14F2N8/c1-10(27-17-14(8-22)16(23)25-9-26-17)18-28-15-3-2-4-24-19(15)29(18)13-6-11(20)5-12(21)7-13/h2-7,9-10H,1H3,(H3,23,25,26,27)/t10-/m0/s1
InChIKeySOFIJGDSGPVCSB-JTQLQIEISA-N
XLogP3.12
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile (CID 58459371) is 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile is C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccnc2n1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is SOFIJGDSGPVCSB-JTQLQIEISA-N. The full InChI is InChI=1S/C19H14F2N8/c1-10(27-17-14(8-22)16(23)25-9-26-17)18-28-15-3-2-4-24-19(15)29(18)13-6-11(20)5-12(21)7-13/h2-7,9-10H,1H3,(H3,23,25,26,27)/t10-/m0/s1.
What are the key properties of 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 392.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 58459371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).