6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C18H18N4O3 — CID 56932011

IUPAC6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(N)=O)C(c3ccncc3)C1C2
InChIInChI=1S/C18H18N4O3/c1-24-14-8-11-7-13-16(12(11)9-15(14)25-2)21-22(18(19)23)17(13)10-3-5-20-6-4-10/h3-6,8-9,13,17H,7H2,1-2H3,(H2,19,23)
InChIKeyGXWKICGJRDYLKP-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.11
Rot. Bonds3

About 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56932011) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56932011
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(N)=O)C(c3ccncc3)C1C2
InChIInChI=1S/C18H18N4O3/c1-24-14-8-11-7-13-16(12(11)9-15(14)25-2)21-22(18(19)23)17(13)10-3-5-20-6-4-10/h3-6,8-9,13,17H,7H2,1-2H3,(H2,19,23)
InChIKeyGXWKICGJRDYLKP-UHFFFAOYSA-N
XLogP2.11
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56932011) is 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(N)=O)C(c3ccncc3)C1C2.
What is the InChIKey of 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is GXWKICGJRDYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-14-8-11-7-13-16(12(11)9-15(14)25-2)21-22(18(19)23)17(13)10-3-5-20-6-4-10/h3-6,8-9,13,17H,7H2,1-2H3,(H2,19,23).
What are the key properties of 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56932011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).