7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine

C22H23N5O — CID 667020

IUPAC7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
SMILESCC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2
InChIInChI=1S/C22H23N5O/c1-13(2)9-17-15-6-3-7-16(15)18-19-20(28-22(18)27-17)21(26-12-25-19)24-11-14-5-4-8-23-10-14/h4-5,8,10,12-13H,3,6-7,9,11H2,1-2H3,(H,24,25,26)
InChIKeyOIELIBZKYYFAMK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.47
Rot. Bonds5

About 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine

7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine (PubChem CID 667020) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.

Molecular Properties

Compound Name7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
PubChem CID667020
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
SMILESCC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2
InChIInChI=1S/C22H23N5O/c1-13(2)9-17-15-6-3-7-16(15)18-19-20(28-22(18)27-17)21(26-12-25-19)24-11-14-5-4-8-23-10-14/h4-5,8,10,12-13H,3,6-7,9,11H2,1-2H3,(H,24,25,26)
InChIKeyOIELIBZKYYFAMK-UHFFFAOYSA-N
XLogP4.47
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
The IUPAC name of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine (CID 667020) is 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.
What is the SMILES notation for 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
The canonical SMILES for 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine is CC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2.
What is the InChIKey of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
The InChIKey is OIELIBZKYYFAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-13(2)9-17-15-6-3-7-16(15)18-19-20(28-22(18)27-17)21(26-12-25-19)24-11-14-5-4-8-23-10-14/h4-5,8,10,12-13H,3,6-7,9,11H2,1-2H3,(H,24,25,26).
What are the key properties of 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine has a molecular weight of 373.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine is sourced from PubChem (CID 667020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).