(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

C18H19F2N5O2 — CID 146527144

IUPAC(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
SMILESNc1ncnc2c1c1c(n2C(CF)CF)CC[C@H](O)c2c-1noc2C1CC1
InChIInChI=1S/C18H19F2N5O2/c19-5-9(6-20)25-10-3-4-11(26)13-15(24-27-16(13)8-1-2-8)12(10)14-17(21)22-7-23-18(14)25/h7-9,11,26H,1-6H2,(H2,21,22,23)/t11-/m0/s1
InChIKeyFMLOBLRZRKLJGY-NSHDSACASA-N
MW375.38 g/mol
LogP3.01
Rot. Bonds4

About (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

(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 (PubChem CID 146527144) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146527144
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name(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
SMILESNc1ncnc2c1c1c(n2C(CF)CF)CC[C@H](O)c2c-1noc2C1CC1
InChIInChI=1S/C18H19F2N5O2/c19-5-9(6-20)25-10-3-4-11(26)13-15(24-27-16(13)8-1-2-8)12(10)14-17(21)22-7-23-18(14)25/h7-9,11,26H,1-6H2,(H2,21,22,23)/t11-/m0/s1
InChIKeyFMLOBLRZRKLJGY-NSHDSACASA-N
XLogP3.01
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Nc1ncnc2c1c1c(n2C(CF)CF)CC[C@H](O)c2c-1noc2C1CC1.
What is the InChIKey of (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?
The InChIKey is FMLOBLRZRKLJGY-NSHDSACASA-N. The full InChI is InChI=1S/C18H19F2N5O2/c19-5-9(6-20)25-10-3-4-11(26)13-15(24-27-16(13)8-1-2-8)12(10)14-17(21)22-7-23-18(14)25/h7-9,11,26H,1-6H2,(H2,21,22,23)/t11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 375.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146527144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).