N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

C25H23Cl3F2N4O3 — CID 69187221

IUPACN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CC2CCCC2C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1cc(OC(F)F)ccc1-2
InChIInChI=1S/C25H22Cl2F2N4O3.ClH/c26-15-4-7-20(19(27)8-15)33-23-17-6-5-16(36-25(28)29)9-21(17)35-12-18(23)22(30-33)24(34)31-32-10-13-2-1-3-14(13)11-32;/h4-9,13-14,25H,1-3,10-12H2,(H,31,34);1H
InChIKeyIKYIJUMMVLHQBI-UHFFFAOYSA-N
MW571.84 g/mol
LogP6.14
Rot. Bonds5

About N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 69187221) has the molecular formula C25H23Cl3F2N4O3 and a molecular weight of 571.84 g/mol. Its IUPAC name is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
PubChem CID69187221
Molecular FormulaC25H23Cl3F2N4O3
Molecular Weight571.84 g/mol
Exact Mass570.08
IUPAC NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CC2CCCC2C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1cc(OC(F)F)ccc1-2
InChIInChI=1S/C25H22Cl2F2N4O3.ClH/c26-15-4-7-20(19(27)8-15)33-23-17-6-5-16(36-25(28)29)9-21(17)35-12-18(23)22(30-33)24(34)31-32-10-13-2-1-3-14(13)11-32;/h4-9,13-14,25H,1-3,10-12H2,(H,31,34);1H
InChIKeyIKYIJUMMVLHQBI-UHFFFAOYSA-N
XLogP6.14
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.84
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (CID 69187221) is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NN1CC2CCCC2C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1cc(OC(F)F)ccc1-2.
What is the InChIKey of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is IKYIJUMMVLHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F2N4O3.ClH/c26-15-4-7-20(19(27)8-15)33-23-17-6-5-16(36-25(28)29)9-21(17)35-12-18(23)22(30-33)24(34)31-32-10-13-2-1-3-14(13)11-32;/h4-9,13-14,25H,1-3,10-12H2,(H,31,34);1H.
What are the key properties of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 571.84 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69187221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).