14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one

C23H21N7O2 — CID 138458400

IUPAC14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOc2ccc(-n3cnc(C4CC4)c3)cc21
InChIInChI=1S/C23H21N7O2/c31-23-17-11-16(30-12-19(24-13-30)15-5-6-15)7-8-20(17)32-10-2-9-29-14-25-28-22(29)18-3-1-4-21(26-18)27-23/h1,3-4,7-8,11-15H,2,5-6,9-10H2,(H,26,27,31)
InChIKeyBVJYYZPPRNVPRJ-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.44
Rot. Bonds2

About 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one

14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one (PubChem CID 138458400) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one.

Molecular Properties

Compound Name14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
PubChem CID138458400
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOc2ccc(-n3cnc(C4CC4)c3)cc21
InChIInChI=1S/C23H21N7O2/c31-23-17-11-16(30-12-19(24-13-30)15-5-6-15)7-8-20(17)32-10-2-9-29-14-25-28-22(29)18-3-1-4-21(26-18)27-23/h1,3-4,7-8,11-15H,2,5-6,9-10H2,(H,26,27,31)
InChIKeyBVJYYZPPRNVPRJ-UHFFFAOYSA-N
XLogP3.44
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The IUPAC name of 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one (CID 138458400) is 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one.
What is the SMILES notation for 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The canonical SMILES for 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one is O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccc(-n3cnc(C4CC4)c3)cc21.
What is the InChIKey of 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The InChIKey is BVJYYZPPRNVPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c31-23-17-11-16(30-12-19(24-13-30)15-5-6-15)7-8-20(17)32-10-2-9-29-14-25-28-22(29)18-3-1-4-21(26-18)27-23/h1,3-4,7-8,11-15H,2,5-6,9-10H2,(H,26,27,31).
What are the key properties of 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one has a molecular weight of 427.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-cyclopropylimidazol-1-yl)-10-oxa-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one is sourced from PubChem (CID 138458400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).