5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

C20H23F3N6O — CID 178041618

IUPAC5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)C1CNCCN1c1cc(C(F)(F)F)cc(-c2ccnc3c2CNC(=O)N3)n1
InChIInChI=1S/C20H23F3N6O/c1-11(2)16-10-24-5-6-29(16)17-8-12(20(21,22)23)7-15(27-17)13-3-4-25-18-14(13)9-26-19(30)28-18/h3-4,7-8,11,16,24H,5-6,9-10H2,1-2H3,(H2,25,26,28,30)
InChIKeySPRSYRQHTULMLP-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.23
Rot. Bonds3

About 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 178041618) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID178041618
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC Name5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)C1CNCCN1c1cc(C(F)(F)F)cc(-c2ccnc3c2CNC(=O)N3)n1
InChIInChI=1S/C20H23F3N6O/c1-11(2)16-10-24-5-6-29(16)17-8-12(20(21,22)23)7-15(27-17)13-3-4-25-18-14(13)9-26-19(30)28-18/h3-4,7-8,11,16,24H,5-6,9-10H2,1-2H3,(H2,25,26,28,30)
InChIKeySPRSYRQHTULMLP-UHFFFAOYSA-N
XLogP3.23
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (CID 178041618) is 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is CC(C)C1CNCCN1c1cc(C(F)(F)F)cc(-c2ccnc3c2CNC(=O)N3)n1.
What is the InChIKey of 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is SPRSYRQHTULMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O/c1-11(2)16-10-24-5-6-29(16)17-8-12(20(21,22)23)7-15(27-17)13-3-4-25-18-14(13)9-26-19(30)28-18/h3-4,7-8,11,16,24H,5-6,9-10H2,1-2H3,(H2,25,26,28,30).
What are the key properties of 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 420.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 178041618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).