4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide

C24H24FN7O2 — CID 118687743

IUPAC4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3cnn(-c4ccc(C)nc4)c3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H24FN7O2/c1-15-4-7-20(13-27-15)32-14-19(12-30-32)31-24-28-10-16(11-29-24)5-6-17-8-18(23(33)26-2)9-21(34-3)22(17)25/h4,7-14H,5-6H2,1-3H3,(H,26,33)(H,28,29,31)
InChIKeyPYOGYBRXOHJGON-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.40
Rot. Bonds8

About 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide

4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (PubChem CID 118687743) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
PubChem CID118687743
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3cnn(-c4ccc(C)nc4)c3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H24FN7O2/c1-15-4-7-20(13-27-15)32-14-19(12-30-32)31-24-28-10-16(11-29-24)5-6-17-8-18(23(33)26-2)9-21(34-3)22(17)25/h4,7-14H,5-6H2,1-3H3,(H,26,33)(H,28,29,31)
InChIKeyPYOGYBRXOHJGON-UHFFFAOYSA-N
XLogP3.40
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (CID 118687743) is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is CNC(=O)c1cc(CCc2cnc(Nc3cnn(-c4ccc(C)nc4)c3)nc2)c(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is PYOGYBRXOHJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-15-4-7-20(13-27-15)32-14-19(12-30-32)31-24-28-10-16(11-29-24)5-6-17-8-18(23(33)26-2)9-21(34-3)22(17)25/h4,7-14H,5-6H2,1-3H3,(H,26,33)(H,28,29,31).
What are the key properties of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 461.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[1-(6-methyl-3-pyridinyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 118687743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).