(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide

C23H22Cl2N4O2S — CID 69408702

IUPAC(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C/c1cccs1
InChIInChI=1S/C23H22Cl2N4O2S/c24-16-6-7-20(19(25)12-16)29-22-15(11-17-5-4-10-32-17)13-31-14-18(22)21(26-29)23(30)27-28-8-2-1-3-9-28/h4-7,10-12H,1-3,8-9,13-14H2,(H,27,30)/b15-11-
InChIKeyLBPODGXAJNBZQS-PTNGSMBKSA-N
MW489.43 g/mol
LogP5.44
Rot. Bonds4

About (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide

(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide (PubChem CID 69408702) has the molecular formula C23H22Cl2N4O2S and a molecular weight of 489.43 g/mol. Its IUPAC name is (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
PubChem CID69408702
Molecular FormulaC23H22Cl2N4O2S
Molecular Weight489.43 g/mol
Exact Mass488.08
IUPAC Name(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C/c1cccs1
InChIInChI=1S/C23H22Cl2N4O2S/c24-16-6-7-20(19(25)12-16)29-22-15(11-17-5-4-10-32-17)13-31-14-18(22)21(26-29)23(30)27-28-8-2-1-3-9-28/h4-7,10-12H,1-3,8-9,13-14H2,(H,27,30)/b15-11-
InChIKeyLBPODGXAJNBZQS-PTNGSMBKSA-N
XLogP5.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7Z)-1-(2,4-dichlorophenyl)-N-(1-phenylethyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 15982389
N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968637
(7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 58916342
(7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 157113982
(7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 158402140
6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24967574
1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,5-dioxo-N-piperidin-1-yl-4H-thiopyrano[3,4-d]pyrazole-3-carboxamide
CID 73126568
1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[4,5-d]azepine-3-carboxamide
CID 67391152
1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 69453741
1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 10994138
1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965086
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 11685644

Frequently Asked Questions

What is the IUPAC name of (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide (CID 69408702) is (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide is O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C/c1cccs1.
What is the InChIKey of (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
The InChIKey is LBPODGXAJNBZQS-PTNGSMBKSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2S/c24-16-6-7-20(19(25)12-16)29-22-15(11-17-5-4-10-32-17)13-31-14-18(22)21(26-29)23(30)27-28-8-2-1-3-9-28/h4-7,10-12H,1-3,8-9,13-14H2,(H,27,30)/b15-11-.
What are the key properties of (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide has a molecular weight of 489.43 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 69408702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).