16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one

C17H17N5O3 — CID 146526867

IUPAC16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one
SMILESCC(C)n1c2c(c3c(N)ncnc31)-c1noc(C3CC3)c1C(=O)OC2
InChIInChI=1S/C17H17N5O3/c1-7(2)22-9-5-24-17(23)12-13(21-25-14(12)8-3-4-8)10(9)11-15(18)19-6-20-16(11)22/h6-8H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeyAPHKOJHQESIDQD-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.80
Rot. Bonds2

About 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one

16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one (PubChem CID 146526867) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one.

Molecular Properties

Compound Name16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one
PubChem CID146526867
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one
SMILESCC(C)n1c2c(c3c(N)ncnc31)-c1noc(C3CC3)c1C(=O)OC2
InChIInChI=1S/C17H17N5O3/c1-7(2)22-9-5-24-17(23)12-13(21-25-14(12)8-3-4-8)10(9)11-15(18)19-6-20-16(11)22/h6-8H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeyAPHKOJHQESIDQD-UHFFFAOYSA-N
XLogP2.80
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one with MolForge

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

Launch Full Analysis

Related Compounds

US11603374, Example 14
CID 139331114
16-Amino-5-cyclopropyl-11-pyrrolidin-3-yl-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one;2,2,2-trifluoroacetic acid
CID 146443734
1-(16-Amino-5-cyclopropyl-11-propan-2-yl-4-oxa-3,8,11,13,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-8-yl)-3,3,3-trifluoropropan-1-one
CID 146526795
(7R)-16-amino-5-cyclopropyl-11-(1,3-difluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 146527140
16-Amino-5-cyclopropyl-11-(1,3-difluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 146527142
(7S)-16-amino-5-cyclopropyl-11-(1,3-difluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 146527144
16-Amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 146527594
5-Cyclopropyl-11-(1,3-difluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-16-amine
CID 153546086
16-amino-5-cyclopropyl-11-[(2S)-1,1,1-trifluoropropan-2-yl]-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 162786178
(7S)-16-amino-5-cyclopropyl-11-[(2R)-1,1,1-trifluoropropan-2-yl]-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 162786198
16-Amino-5-cyclopropyl-11-(1,1,1-trifluoropropan-2-yl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 162786199
16-Amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
CID 162786211

Frequently Asked Questions

What is the IUPAC name of 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one?
The IUPAC name of 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one (CID 146526867) is 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one.
What is the SMILES notation for 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one?
The canonical SMILES for 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one is CC(C)n1c2c(c3c(N)ncnc31)-c1noc(C3CC3)c1C(=O)OC2.
What is the InChIKey of 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one?
The InChIKey is APHKOJHQESIDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-7(2)22-9-5-24-17(23)12-13(21-25-14(12)8-3-4-8)10(9)11-15(18)19-6-20-16(11)22/h6-8H,3-5H2,1-2H3,(H2,18,19,20).
What are the key properties of 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one?
16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one has a molecular weight of 339.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one is sourced from PubChem (CID 146526867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).