N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

C19H18N6O2 — CID 146416307

IUPACN-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC1(CC1)O3
InChIInChI=1S/C19H18N6O2/c1-3-25-14(6-11(2)23-25)17(26)22-18-21-13-7-12(9-20)8-15-16(13)24(18)10-19(27-15)4-5-19/h6-8H,3-5,10H2,1-2H3,(H,21,22,26)
InChIKeyVLNBHGIOYKFYJG-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.61
Rot. Bonds3

About N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 146416307) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID146416307
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC1(CC1)O3
InChIInChI=1S/C19H18N6O2/c1-3-25-14(6-11(2)23-25)17(26)22-18-21-13-7-12(9-20)8-15-16(13)24(18)10-19(27-15)4-5-19/h6-8H,3-5,10H2,1-2H3,(H,21,22,26)
InChIKeyVLNBHGIOYKFYJG-UHFFFAOYSA-N
XLogP2.61
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 146416307) is N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC1(CC1)O3.
What is the InChIKey of N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is VLNBHGIOYKFYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-3-25-14(6-11(2)23-25)17(26)22-18-21-13-7-12(9-20)8-15-16(13)24(18)10-19(27-15)4-5-19/h6-8H,3-5,10H2,1-2H3,(H,21,22,26).
What are the key properties of N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyanospiro[9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-10,1'-cyclopropane]-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146416307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).