14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C22H21N5O3 — CID 71707065

About 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71707065) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

• Compound Name: 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
• PubChem CID: 71707065
• Molecular Formula: C22H21N5O3
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.16
• IUPAC Name: 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
• SMILES: Cc1c(=O)ccc2c1oc1c(-c3cnn(C)c3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
• InChI: InChI=1S/C22H21N5O3/c1-11-15(28)8-7-14-18-20(30-19(11)14)16(12-9-23-26(2)10-12)17-21(24-18)27(25-22(17)29)13-5-3-4-6-13/h7-10,13,24H,3-6H2,1-2H3,(H,25,29)
• InChIKey: ULNOZOQECONTEX-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 101.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

The IUPAC name of 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71707065) is 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

What is the SMILES notation for 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

The canonical SMILES for 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is Cc1c(=O)ccc2c1oc1c(-c3cnn(C)c3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12.

What is the InChIKey of 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

The InChIKey is ULNOZOQECONTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-11-15(28)8-7-14-18-20(30-19(11)14)16(12-9-23-26(2)10-12)17-21(24-18)27(25-22(17)29)13-5-3-4-6-13/h7-10,13,24H,3-6H2,1-2H3,(H,25,29).

What are the key properties of 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?

14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 403.44 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-cyclopentyl-6-methyl-10-(1-methylpyrazol-4-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71707065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).