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

C24H30N8O — CID 58180623

IUPACN,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-yl)amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1nc(Nc2nc3c(cc(C(=O)N(C4CC4)C4CC4)n3CC)c3c2ncn3C)cc1C
InChIInChI=1S/C24H30N8O/c1-5-30-18(24(33)32(15-7-8-15)16-9-10-16)12-17-21-20(25-13-29(21)4)22(27-23(17)30)26-19-11-14(3)31(6-2)28-19/h11-13,15-16H,5-10H2,1-4H3,(H,26,27,28)
InChIKeyAURRZUHEFHUFLC-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.98
Rot. Bonds7

About N,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-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-[(1-ethyl-5-methylpyrazol-3-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 58180623) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-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-[(1-ethyl-5-methylpyrazol-3-yl)amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID58180623
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC NameN,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-yl)amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1nc(Nc2nc3c(cc(C(=O)N(C4CC4)C4CC4)n3CC)c3c2ncn3C)cc1C
InChIInChI=1S/C24H30N8O/c1-5-30-18(24(33)32(15-7-8-15)16-9-10-16)12-17-21-20(25-13-29(21)4)22(27-23(17)30)26-19-11-14(3)31(6-2)28-19/h11-13,15-16H,5-10H2,1-4H3,(H,26,27,28)
InChIKeyAURRZUHEFHUFLC-UHFFFAOYSA-N
XLogP3.98
TPSA85.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-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-[(1-ethyl-5-methylpyrazol-3-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-[(1-ethyl-5-methylpyrazol-3-yl)amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 58180623) is N,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-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-[(1-ethyl-5-methylpyrazol-3-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-[(1-ethyl-5-methylpyrazol-3-yl)amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is CCn1nc(Nc2nc3c(cc(C(=O)N(C4CC4)C4CC4)n3CC)c3c2ncn3C)cc1C.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-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 AURRZUHEFHUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-5-30-18(24(33)32(15-7-8-15)16-9-10-16)12-17-21-20(25-13-29(21)4)22(27-23(17)30)26-19-11-14(3)31(6-2)28-19/h11-13,15-16H,5-10H2,1-4H3,(H,26,27,28).
What are the key properties of N,N-dicyclopropyl-10-ethyl-7-[(1-ethyl-5-methylpyrazol-3-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-[(1-ethyl-5-methylpyrazol-3-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 446.56 g/mol, XLogP of 3.98, 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-[(1-ethyl-5-methylpyrazol-3-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 58180623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).