6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C28H27F3N6O2 — CID 71251077

IUPAC6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C28H27F3N6O2/c1-2-37-25-19(11-21(26(37)38)24-22(28(29,30)31)12-18(13-33-24)16-3-4-16)14-34-27(36-25)35-20-7-5-17(6-8-20)23-15-32-9-10-39-23/h5-8,11-14,16,23,32H,2-4,9-10,15H2,1H3,(H,34,35,36)
InChIKeySNZGJCAUEZAHHS-UHFFFAOYSA-N
MW536.56 g/mol
LogP5.17
Rot. Bonds6

About 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71251077) has the molecular formula C28H27F3N6O2 and a molecular weight of 536.56 g/mol. Its IUPAC name is 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71251077
Molecular FormulaC28H27F3N6O2
Molecular Weight536.56 g/mol
Exact Mass536.21
IUPAC Name6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C28H27F3N6O2/c1-2-37-25-19(11-21(26(37)38)24-22(28(29,30)31)12-18(13-33-24)16-3-4-16)14-34-27(36-25)35-20-7-5-17(6-8-20)23-15-32-9-10-39-23/h5-8,11-14,16,23,32H,2-4,9-10,15H2,1H3,(H,34,35,36)
InChIKeySNZGJCAUEZAHHS-UHFFFAOYSA-N
XLogP5.17
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 71251077) is 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.
What is the InChIKey of 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SNZGJCAUEZAHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2/c1-2-37-25-19(11-21(26(37)38)24-22(28(29,30)31)12-18(13-33-24)16-3-4-16)14-34-27(36-25)35-20-7-5-17(6-8-20)23-15-32-9-10-39-23/h5-8,11-14,16,23,32H,2-4,9-10,15H2,1H3,(H,34,35,36).
What are the key properties of 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 536.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71251077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).