N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide

C25H24FN5O2 — CID 110239900

IUPACN-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)C1OCCc2ccccc21
InChIInChI=1S/C25H24FN5O2/c1-30-13-11-27-24(30)22-21(18-6-8-19(26)9-7-18)16-29-31(22)14-12-28-25(32)23-20-5-3-2-4-17(20)10-15-33-23/h2-9,11,13,16,23H,10,12,14-15H2,1H3,(H,28,32)
InChIKeyVDMWBENRIPZWBK-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.52
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide

N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 110239900) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID110239900
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)C1OCCc2ccccc21
InChIInChI=1S/C25H24FN5O2/c1-30-13-11-27-24(30)22-21(18-6-8-19(26)9-7-18)16-29-31(22)14-12-28-25(32)23-20-5-3-2-4-17(20)10-15-33-23/h2-9,11,13,16,23H,10,12,14-15H2,1H3,(H,28,32)
InChIKeyVDMWBENRIPZWBK-UHFFFAOYSA-N
XLogP3.52
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 110239900) is N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide is Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)C1OCCc2ccccc21.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is VDMWBENRIPZWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-30-13-11-27-24(30)22-21(18-6-8-19(26)9-7-18)16-29-31(22)14-12-28-25(32)23-20-5-3-2-4-17(20)10-15-33-23/h2-9,11,13,16,23H,10,12,14-15H2,1H3,(H,28,32).
What are the key properties of N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 110239900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).