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

C22H26N8O — CID 58180521

IUPACN,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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(Nc3cc(C)[nH]n3)nc21
InChIInChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
InChIKeyQBMBKEGWVSJZNL-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.49
Rot. Bonds6

About N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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-1H-pyrazol-3-yl)amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 58180521) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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-1H-pyrazol-3-yl)amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID58180521
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC NameN,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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(Nc3cc(C)[nH]n3)nc21
InChIInChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
InChIKeyQBMBKEGWVSJZNL-UHFFFAOYSA-N
XLogP3.49
TPSA96.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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-1H-pyrazol-3-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-1H-pyrazol-3-yl)amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 58180521) is N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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-1H-pyrazol-3-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-1H-pyrazol-3-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(Nc3cc(C)[nH]n3)nc21.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-yl)amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The InChIKey is QBMBKEGWVSJZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27).
What are the key properties of N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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-1H-pyrazol-3-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 418.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-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 58180521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).