1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C19H11ClF3N5O — CID 153050831

IUPAC1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccnc2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C19H11ClF3N5O/c20-13-5-1-2-6-14(13)28-17-12(7-8-15(26-17)19(21,22)23)16(27-18(28)29)25-11-4-3-9-24-10-11/h1-10H,(H,25,27,29)
InChIKeyVHNFCZDLFXXJOZ-UHFFFAOYSA-N
MW417.78 g/mol
LogP4.59
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 153050831) has the molecular formula C19H11ClF3N5O and a molecular weight of 417.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID153050831
Molecular FormulaC19H11ClF3N5O
Molecular Weight417.78 g/mol
Exact Mass417.06
IUPAC Name1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccnc2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C19H11ClF3N5O/c20-13-5-1-2-6-14(13)28-17-12(7-8-15(26-17)19(21,22)23)16(27-18(28)29)25-11-4-3-9-24-10-11/h1-10H,(H,25,27,29)
InChIKeyVHNFCZDLFXXJOZ-UHFFFAOYSA-N
XLogP4.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 153050831) is 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is O=c1nc(Nc2cccnc2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is VHNFCZDLFXXJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N5O/c20-13-5-1-2-6-14(13)28-17-12(7-8-15(26-17)19(21,22)23)16(27-18(28)29)25-11-4-3-9-24-10-11/h1-10H,(H,25,27,29).
What are the key properties of 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 417.78 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(pyridin-3-ylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 153050831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).