N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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

C23H27N7O3S2 — CID 58180639

IUPACN,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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)c(S(C)(=O)=O)s3)nc21
InChIInChI=1S/C23H27N7O3S2/c1-5-29-16(21(31)30(13-6-7-13)14-8-9-14)10-15-18-17(24-11-28(18)3)19(26-20(15)29)27-23-25-12(2)22(34-23)35(4,32)33/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
InChIKeyNUIONXMCWNYJPF-UHFFFAOYSA-N
MW513.65 g/mol
LogP3.62
Rot. Bonds7

About N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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-[(4-methyl-5-methylsulfonyl-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 58180639) has the molecular formula C23H27N7O3S2 and a molecular weight of 513.65 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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-[(4-methyl-5-methylsulfonyl-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 CID58180639
Molecular FormulaC23H27N7O3S2
Molecular Weight513.65 g/mol
Exact Mass513.16
IUPAC NameN,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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)c(S(C)(=O)=O)s3)nc21
InChIInChI=1S/C23H27N7O3S2/c1-5-29-16(21(31)30(13-6-7-13)14-8-9-14)10-15-18-17(24-11-28(18)3)19(26-20(15)29)27-23-25-12(2)22(34-23)35(4,32)33/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
InChIKeyNUIONXMCWNYJPF-UHFFFAOYSA-N
XLogP3.62
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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-[(4-methyl-5-methylsulfonyl-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-[(4-methyl-5-methylsulfonyl-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 58180639) is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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-[(4-methyl-5-methylsulfonyl-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-[(4-methyl-5-methylsulfonyl-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)c(S(C)(=O)=O)s3)nc21.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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 NUIONXMCWNYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S2/c1-5-29-16(21(31)30(13-6-7-13)14-8-9-14)10-15-18-17(24-11-28(18)3)19(26-20(15)29)27-23-25-12(2)22(34-23)35(4,32)33/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27).
What are the key properties of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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-[(4-methyl-5-methylsulfonyl-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 513.65 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-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 58180639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).