8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C19H12F6N6O — CID 18375336

IUPAC8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H12F6N6O/c20-18(21,22)16(19(23,24)25)31-14(32)7-2-11-10-26-17(29-15(11)31)28-12-3-5-13(6-4-12)30-9-1-8-27-30/h1-10,16H,(H,26,28,29)
InChIKeyDHBOWGIBEWRWHO-UHFFFAOYSA-N
MW454.33 g/mol
LogP4.39
Rot. Bonds4

About 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375336) has the molecular formula C19H12F6N6O and a molecular weight of 454.33 g/mol. Its IUPAC name is 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375336
Molecular FormulaC19H12F6N6O
Molecular Weight454.33 g/mol
Exact Mass454.10
IUPAC Name8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H12F6N6O/c20-18(21,22)16(19(23,24)25)31-14(32)7-2-11-10-26-17(29-15(11)31)28-12-3-5-13(6-4-12)30-9-1-8-27-30/h1-10,16H,(H,26,28,29)
InChIKeyDHBOWGIBEWRWHO-UHFFFAOYSA-N
XLogP4.39
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18375336) is 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DHBOWGIBEWRWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N6O/c20-18(21,22)16(19(23,24)25)31-14(32)7-2-11-10-26-17(29-15(11)31)28-12-3-5-13(6-4-12)30-9-1-8-27-30/h1-10,16H,(H,26,28,29).
What are the key properties of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 454.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).