N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride

C24H25ClFIN4O2 — CID 69164011

IUPACN-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
SMILESCC1(C)Oc2cc(I)ccc2-c2n[nH]c(C(=O)N(c3ccccc3F)N3CCCCC3)c21.Cl
InChIInChI=1S/C24H24FIN4O2.ClH/c1-24(2)20-21(16-11-10-15(26)14-19(16)32-24)27-28-22(20)23(31)30(29-12-6-3-7-13-29)18-9-5-4-8-17(18)25;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,27,28);1H
InChIKeyZPYCLIZCBRQRCA-UHFFFAOYSA-N
MW582.85 g/mol
LogP5.92
Rot. Bonds3

About N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride

N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (PubChem CID 69164011) has the molecular formula C24H25ClFIN4O2 and a molecular weight of 582.85 g/mol. Its IUPAC name is N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
PubChem CID69164011
Molecular FormulaC24H25ClFIN4O2
Molecular Weight582.85 g/mol
Exact Mass582.07
IUPAC NameN-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
SMILESCC1(C)Oc2cc(I)ccc2-c2n[nH]c(C(=O)N(c3ccccc3F)N3CCCCC3)c21.Cl
InChIInChI=1S/C24H24FIN4O2.ClH/c1-24(2)20-21(16-11-10-15(26)14-19(16)32-24)27-28-22(20)23(31)30(29-12-6-3-7-13-29)18-9-5-4-8-17(18)25;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,27,28);1H
InChIKeyZPYCLIZCBRQRCA-UHFFFAOYSA-N
XLogP5.92
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.85
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69194500
N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164180
N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69164163
6-(azepan-1-yl)-N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69163357
7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164000
12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide
CID 69163024
2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(piperidin-1-yl)methanone
CID 166302472
N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95194787
7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride
CID 67467441
N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine
CID 151068942
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
CID 10756566

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (CID 69164011) is N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is CC1(C)Oc2cc(I)ccc2-c2n[nH]c(C(=O)N(c3ccccc3F)N3CCCCC3)c21.Cl.
What is the InChIKey of N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is ZPYCLIZCBRQRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FIN4O2.ClH/c1-24(2)20-21(16-11-10-15(26)14-19(16)32-24)27-28-22(20)23(31)30(29-12-6-3-7-13-29)18-9-5-4-8-17(18)25;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,27,28);1H.
What are the key properties of N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 582.85 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69164011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).