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

C29H38N10O2 — CID 58180578

IUPACN,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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(=O)N1CCN(C)CC1
InChIInChI=1S/C29H38N10O2/c1-5-37-21(29(41)39(18-7-8-18)19-9-10-19)15-20-25-24(30-17-35(25)4)26(32-27(20)37)31-23-16-22(38(6-2)33-23)28(40)36-13-11-34(3)12-14-36/h15-19H,5-14H2,1-4H3,(H,31,32,33)
InChIKeyNIBGGCOYGCONMI-UHFFFAOYSA-N
MW558.69 g/mol
LogP3.06
Rot. Bonds8

About N,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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-(4-methylpiperazine-1-carbonyl)pyrazol-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 58180578) has the molecular formula C29H38N10O2 and a molecular weight of 558.69 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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-(4-methylpiperazine-1-carbonyl)pyrazol-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 CID58180578
Molecular FormulaC29H38N10O2
Molecular Weight558.69 g/mol
Exact Mass558.32
IUPAC NameN,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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(=O)N1CCN(C)CC1
InChIInChI=1S/C29H38N10O2/c1-5-37-21(29(41)39(18-7-8-18)19-9-10-19)15-20-25-24(30-17-35(25)4)26(32-27(20)37)31-23-16-22(38(6-2)33-23)28(40)36-13-11-34(3)12-14-36/h15-19H,5-14H2,1-4H3,(H,31,32,33)
InChIKeyNIBGGCOYGCONMI-UHFFFAOYSA-N
XLogP3.06
TPSA109.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.69
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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-(4-methylpiperazine-1-carbonyl)pyrazol-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-(4-methylpiperazine-1-carbonyl)pyrazol-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 58180578) is N,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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-(4-methylpiperazine-1-carbonyl)pyrazol-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-(4-methylpiperazine-1-carbonyl)pyrazol-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(=O)N1CCN(C)CC1.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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 NIBGGCOYGCONMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N10O2/c1-5-37-21(29(41)39(18-7-8-18)19-9-10-19)15-20-25-24(30-17-35(25)4)26(32-27(20)37)31-23-16-22(38(6-2)33-23)28(40)36-13-11-34(3)12-14-36/h15-19H,5-14H2,1-4H3,(H,31,32,33).
What are the key properties of N,N-dicyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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-(4-methylpiperazine-1-carbonyl)pyrazol-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 558.69 g/mol, XLogP of 3.06, 8 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-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-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 58180578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).