N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide

C23H25FN4O — CID 24794003

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCc2ccncc2)C1
InChIInChI=1S/C23H25FN4O/c1-23(2)13-20(27-22(29)8-3-16-9-11-25-12-10-16)19-15-26-28(21(19)14-23)18-6-4-17(24)5-7-18/h4-7,9-12,15,20H,3,8,13-14H2,1-2H3,(H,27,29)
InChIKeyRKIZFLBROZHDBR-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide (PubChem CID 24794003) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide
PubChem CID24794003
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCc2ccncc2)C1
InChIInChI=1S/C23H25FN4O/c1-23(2)13-20(27-22(29)8-3-16-9-11-25-12-10-16)19-15-26-28(21(19)14-23)18-6-4-17(24)5-7-18/h4-7,9-12,15,20H,3,8,13-14H2,1-2H3,(H,27,29)
InChIKeyRKIZFLBROZHDBR-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide (CID 24794003) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCc2ccncc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is RKIZFLBROZHDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-23(2)13-20(27-22(29)8-3-16-9-11-25-12-10-16)19-15-26-28(21(19)14-23)18-6-4-17(24)5-7-18/h4-7,9-12,15,20H,3,8,13-14H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 392.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 24794003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).