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

C30H27Cl2FN4O2 — CID 69164163

IUPACN-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
SMILESCC1(C)Oc2cc(-c3ccc(F)cc3)ccc2-c2n[nH]c(C(=O)N(c3ccc(Cl)cc3Cl)N3CCCCC3)c21
InChIInChI=1S/C30H27Cl2FN4O2/c1-30(2)26-27(22-12-8-19(16-25(22)39-30)18-6-10-21(33)11-7-18)34-35-28(26)29(38)37(36-14-4-3-5-15-36)24-13-9-20(31)17-23(24)32/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,34,35)
InChIKeyOGHAJNQEOKKQGO-UHFFFAOYSA-N
MW565.48 g/mol
LogP7.86
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 69164163) has the molecular formula C30H27Cl2FN4O2 and a molecular weight of 565.48 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID69164163
Molecular FormulaC30H27Cl2FN4O2
Molecular Weight565.48 g/mol
Exact Mass564.15
IUPAC NameN-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
SMILESCC1(C)Oc2cc(-c3ccc(F)cc3)ccc2-c2n[nH]c(C(=O)N(c3ccc(Cl)cc3Cl)N3CCCCC3)c21
InChIInChI=1S/C30H27Cl2FN4O2/c1-30(2)26-27(22-12-8-19(16-25(22)39-30)18-6-10-21(33)11-7-18)34-35-28(26)29(38)37(36-14-4-3-5-15-36)24-13-9-20(31)17-23(24)32/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,34,35)
InChIKeyOGHAJNQEOKKQGO-UHFFFAOYSA-N
XLogP7.86
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.48
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-chloro-4-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69194500
N-(2-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164011
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
N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69165691
3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
CID 123444229
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 70255079
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide
CID 24965441
7-fluoro-3-methylspiro[2H-chromeno[4,3-c]pyrazole-4,4'-piperidine];dihydrochloride
CID 67467441
N-(azepan-1-yl)-7-cyano-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965082
[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19515045

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide (CID 69164163) is N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide is CC1(C)Oc2cc(-c3ccc(F)cc3)ccc2-c2n[nH]c(C(=O)N(c3ccc(Cl)cc3Cl)N3CCCCC3)c21.
What is the InChIKey of N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is OGHAJNQEOKKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2FN4O2/c1-30(2)26-27(22-12-8-19(16-25(22)39-30)18-6-10-21(33)11-7-18)34-35-28(26)29(38)37(36-14-4-3-5-15-36)24-13-9-20(31)17-23(24)32/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,34,35).
What are the key properties of N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide?
N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 565.48 g/mol, XLogP of 7.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 69164163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).