(4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone

C26H33F3N6O3 — CID 66686206

About (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone

(4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 66686206) has the molecular formula C26H33F3N6O3 and a molecular weight of 534.58 g/mol. Its IUPAC name is (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone
• PubChem CID: 66686206
• Molecular Formula: C26H33F3N6O3
• Molecular Weight: 534.58 g/mol
• Exact Mass: 534.26
• IUPAC Name: (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone
• SMILES: COc1ncc(N2CCc3ncnc(NC4CCN(C(=O)C5CCC(OC)CC5)C4)c3C2)cc1C(F)(F)F
• InChI: InChI=1S/C26H33F3N6O3/c1-37-19-5-3-16(4-6-19)25(36)35-9-7-17(13-35)33-23-20-14-34(10-8-22(20)31-15-32-23)18-11-21(26(27,28)29)24(38-2)30-12-18/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,31,32,33)
• InChIKey: SANCQVDZPVZZRO-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.58
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone?

The IUPAC name of (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone (CID 66686206) is (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone?

The canonical SMILES for (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone is COc1ncc(N2CCc3ncnc(NC4CCN(C(=O)C5CCC(OC)CC5)C4)c3C2)cc1C(F)(F)F.

What is the InChIKey of (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone?

The InChIKey is SANCQVDZPVZZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O3/c1-37-19-5-3-16(4-6-19)25(36)35-9-7-17(13-35)33-23-20-14-34(10-8-22(20)31-15-32-23)18-11-21(26(27,28)29)24(38-2)30-12-18/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,31,32,33).

What are the key properties of (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone?

(4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 534.58 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxycyclohexyl)-[3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 66686206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).