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

C22H25N7OS — CID 58180525

IUPACN,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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(Nc3ncc(C)s3)nc21
InChIInChI=1S/C22H25N7OS/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)9-15-18-17(24-11-27(18)3)19(25-20(15)28)26-22-23-10-12(2)31-22/h9-11,13-14H,4-8H2,1-3H3,(H,23,25,26)
InChIKeyCVJSZBHQUCDKPO-UHFFFAOYSA-N
MW435.56 g/mol
LogP4.22
Rot. Bonds6

About N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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-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 58180525) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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-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 CID58180525
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC NameN,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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(Nc3ncc(C)s3)nc21
InChIInChI=1S/C22H25N7OS/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)9-15-18-17(24-11-27(18)3)19(25-20(15)28)26-22-23-10-12(2)31-22/h9-11,13-14H,4-8H2,1-3H3,(H,23,25,26)
InChIKeyCVJSZBHQUCDKPO-UHFFFAOYSA-N
XLogP4.22
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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-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-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 58180525) is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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-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-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(Nc3ncc(C)s3)nc21.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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 CVJSZBHQUCDKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)9-15-18-17(24-11-27(18)3)19(25-20(15)28)26-22-23-10-12(2)31-22/h9-11,13-14H,4-8H2,1-3H3,(H,23,25,26).
What are the key properties of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-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-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 435.56 g/mol, XLogP of 4.22, 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-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 58180525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).