N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

C23H24F3N7OS — CID 58180612

IUPACN,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(F)(F)F)c(C)s3)nc21
InChIInChI=1S/C23H24F3N7OS/c1-4-32-15(21(34)33(12-5-6-12)13-7-8-13)9-14-17-16(27-10-31(17)3)19(29-20(14)32)30-22-28-18(11(2)35-22)23(24,25)26/h9-10,12-13H,4-8H2,1-3H3,(H,28,29,30)
InChIKeyJHMZMNVBQLUXJL-UHFFFAOYSA-N
MW503.55 g/mol
LogP5.24
Rot. Bonds6

About N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 58180612) has the molecular formula C23H24F3N7OS and a molecular weight of 503.55 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.

Molecular Properties

Compound NameN,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID58180612
Molecular FormulaC23H24F3N7OS
Molecular Weight503.55 g/mol
Exact Mass503.17
IUPAC NameN,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(F)(F)F)c(C)s3)nc21
InChIInChI=1S/C23H24F3N7OS/c1-4-32-15(21(34)33(12-5-6-12)13-7-8-13)9-14-17-16(27-10-31(17)3)19(29-20(14)32)30-22-28-18(11(2)35-22)23(24,25)26/h9-10,12-13H,4-8H2,1-3H3,(H,28,29,30)
InChIKeyJHMZMNVBQLUXJL-UHFFFAOYSA-N
XLogP5.24
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The IUPAC name of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 58180612) is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.
What is the SMILES notation for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The canonical SMILES for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(F)(F)F)c(C)s3)nc21.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The InChIKey is JHMZMNVBQLUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7OS/c1-4-32-15(21(34)33(12-5-6-12)13-7-8-13)9-14-17-16(27-10-31(17)3)19(29-20(14)32)30-22-28-18(11(2)35-22)23(24,25)26/h9-10,12-13H,4-8H2,1-3H3,(H,28,29,30).
What are the key properties of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide has a molecular weight of 503.55 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is sourced from PubChem (CID 58180612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).