3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol

C24H25FN8O2 — CID 25074199

IUPAC3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3ccn(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C24H25FN8O2/c1-31(2)18-11-17(12-19(34)13-18)28-16-3-4-21(26-14-16)22-5-6-33(30-22)24-27-15-20(25)23(29-24)32-7-9-35-10-8-32/h3-6,11-15,28,34H,7-10H2,1-2H3
InChIKeyPYNFTUPJAQGQCE-UHFFFAOYSA-N
MW476.52 g/mol
LogP3.22
Rot. Bonds6

About 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol

3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol (PubChem CID 25074199) has the molecular formula C24H25FN8O2 and a molecular weight of 476.52 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol
PubChem CID25074199
Molecular FormulaC24H25FN8O2
Molecular Weight476.52 g/mol
Exact Mass476.21
IUPAC Name3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3ccn(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C24H25FN8O2/c1-31(2)18-11-17(12-19(34)13-18)28-16-3-4-21(26-14-16)22-5-6-33(30-22)24-27-15-20(25)23(29-24)32-7-9-35-10-8-32/h3-6,11-15,28,34H,7-10H2,1-2H3
InChIKeyPYNFTUPJAQGQCE-UHFFFAOYSA-N
XLogP3.22
TPSA104.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol?
The IUPAC name of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol (CID 25074199) is 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol.
What is the SMILES notation for 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol?
The canonical SMILES for 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol is CN(C)c1cc(O)cc(Nc2ccc(-c3ccn(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1.
What is the InChIKey of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol?
The InChIKey is PYNFTUPJAQGQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2/c1-31(2)18-11-17(12-19(34)13-18)28-16-3-4-21(26-14-16)22-5-6-33(30-22)24-27-15-20(25)23(29-24)32-7-9-35-10-8-32/h3-6,11-15,28,34H,7-10H2,1-2H3.
What are the key properties of 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol?
3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol has a molecular weight of 476.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-[[6-[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazol-3-yl]-3-pyridinyl]amino]phenol is sourced from PubChem (CID 25074199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).