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

C24H21FN4O3 — CID 56676837

IUPACN-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)C(c3ccncc3)C1C2
InChIInChI=1S/C24H21FN4O3/c1-31-20-12-15-11-19-22(18(15)13-21(20)32-2)28-29(23(19)14-7-9-26-10-8-14)24(30)27-17-5-3-16(25)4-6-17/h3-10,12-13,19,23H,11H2,1-2H3,(H,27,30)
InChIKeyXRHIPCLSSPRMOI-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.40
Rot. Bonds4

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

N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56676837) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56676837
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)C(c3ccncc3)C1C2
InChIInChI=1S/C24H21FN4O3/c1-31-20-12-15-11-19-22(18(15)13-21(20)32-2)28-29(23(19)14-7-9-26-10-8-14)24(30)27-17-5-3-16(25)4-6-17/h3-10,12-13,19,23H,11H2,1-2H3,(H,27,30)
InChIKeyXRHIPCLSSPRMOI-UHFFFAOYSA-N
XLogP4.40
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56676837) is N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)C(c3ccncc3)C1C2.
What is the InChIKey of N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is XRHIPCLSSPRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-31-20-12-15-11-19-22(18(15)13-21(20)32-2)28-29(23(19)14-7-9-26-10-8-14)24(30)27-17-5-3-16(25)4-6-17/h3-10,12-13,19,23H,11H2,1-2H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56676837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).