7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C20H21FN6O2 — CID 143344929

IUPAC7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C/C=C\C/C(C#N)=C\CCC2)n2ncc(F)c2n1
InChIInChI=1S/C20H21FN6O2/c1-23-19(28)16-10-17(27-18(26-16)15(21)12-24-27)20(29)25-14-8-4-2-6-13(11-22)7-3-5-9-14/h2,4,7,10,12,14H,3,5-6,8-9H2,1H3,(H,23,28)(H,25,29)/b4-2-,13-7+
InChIKeyDRMUDVUSLFKJEN-QIWMAIDYSA-N
MW396.43 g/mol
LogP2.30
Rot. Bonds3

About 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143344929) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID143344929
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C/C=C\C/C(C#N)=C\CCC2)n2ncc(F)c2n1
InChIInChI=1S/C20H21FN6O2/c1-23-19(28)16-10-17(27-18(26-16)15(21)12-24-27)20(29)25-14-8-4-2-6-13(11-22)7-3-5-9-14/h2,4,7,10,12,14H,3,5-6,8-9H2,1H3,(H,23,28)(H,25,29)/b4-2-,13-7+
InChIKeyDRMUDVUSLFKJEN-QIWMAIDYSA-N
XLogP2.30
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Tert-butyl-N-cyclopentylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040926
N-Cycloheptyl-7-isopropylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040849
N-cyclohexyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040850
7-Tert-butyl-N-cyclohexylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040912
N-cyclohexyl-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171780
N~5~-cyclopentyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179902
5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460778
5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460912
(3Z)-3-[(2E)-2-ethylidene-3-[[5-[[(2E,3Z,5E)-2-ethylidene-6-(trifluoromethoxy)hepta-3,5-dienyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]cyclopentylidene]butanoic acid
CID 143344500
3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615141
5-cyclopropyl-N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19415034
5,7-bis(difluoromethyl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19415035

Frequently Asked Questions

What is the IUPAC name of 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143344929) is 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NC2C/C=C\C/C(C#N)=C\CCC2)n2ncc(F)c2n1.
What is the InChIKey of 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is DRMUDVUSLFKJEN-QIWMAIDYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-23-19(28)16-10-17(27-18(26-16)15(21)12-24-27)20(29)25-14-8-4-2-6-13(11-22)7-3-5-9-14/h2,4,7,10,12,14H,3,5-6,8-9H2,1H3,(H,23,28)(H,25,29)/b4-2-,13-7+.
What are the key properties of 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(3Z,6E)-6-cyanocyclodeca-3,6-dien-1-yl]-3-fluoro-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143344929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).