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

C22H24FN7OS — CID 58180513

IUPACN,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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(CF)cs3)nc21
InChIInChI=1S/C22H24FN7OS/c1-3-29-16(21(31)30(13-4-5-13)14-6-7-14)8-15-18-17(24-11-28(18)2)19(26-20(15)29)27-22-25-12(9-23)10-32-22/h8,10-11,13-14H,3-7,9H2,1-2H3,(H,25,26,27)
InChIKeyWMSOSMQDYLSLKA-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.38
Rot. Bonds7

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

N,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 58180513) has the molecular formula C22H24FN7OS and a molecular weight of 453.55 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID58180513
Molecular FormulaC22H24FN7OS
Molecular Weight453.55 g/mol
Exact Mass453.17
IUPAC NameN,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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(CF)cs3)nc21
InChIInChI=1S/C22H24FN7OS/c1-3-29-16(21(31)30(13-4-5-13)14-6-7-14)8-15-18-17(24-11-28(18)2)19(26-20(15)29)27-22-25-12(9-23)10-32-22/h8,10-11,13-14H,3-7,9H2,1-2H3,(H,25,26,27)
InChIKeyWMSOSMQDYLSLKA-UHFFFAOYSA-N
XLogP4.38
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 58180513) is N,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-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(CF)cs3)nc21.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The InChIKey is WMSOSMQDYLSLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7OS/c1-3-29-16(21(31)30(13-4-5-13)14-6-7-14)8-15-18-17(24-11-28(18)2)19(26-20(15)29)27-22-25-12(9-23)10-32-22/h8,10-11,13-14H,3-7,9H2,1-2H3,(H,25,26,27).
What are the key properties of N,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
N,N-dicyclopropyl-10-ethyl-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.38, 7 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-7-[[4-(fluoromethyl)-1,3-thiazol-2-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is sourced from PubChem (CID 58180513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).