4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide

C20H19BrCl2N4O2 — CID 127049827

IUPAC4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCn1ncc(Br)c1-c1coc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1
InChIInChI=1S/C20H19BrCl2N4O2/c1-27-18(14(21)10-25-27)12-8-17(29-11-12)19(28)26-20(4-6-24-7-5-20)13-2-3-15(22)16(23)9-13/h2-3,8-11,24H,4-7H2,1H3,(H,26,28)
InChIKeyCOKTXHHYCCULDW-UHFFFAOYSA-N
MW498.21 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide

4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 127049827) has the molecular formula C20H19BrCl2N4O2 and a molecular weight of 498.21 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID127049827
Molecular FormulaC20H19BrCl2N4O2
Molecular Weight498.21 g/mol
Exact Mass496.01
IUPAC Name4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
SMILESCn1ncc(Br)c1-c1coc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1
InChIInChI=1S/C20H19BrCl2N4O2/c1-27-18(14(21)10-25-27)12-8-17(29-11-12)19(28)26-20(4-6-24-7-5-20)13-2-3-15(22)16(23)9-13/h2-3,8-11,24H,4-7H2,1H3,(H,26,28)
InChIKeyCOKTXHHYCCULDW-UHFFFAOYSA-N
XLogP4.76
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.21
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Akt-IN-3
CID 138911338
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-hydroxyethyl)piperidin-3-yl]furan-2-carboxamide
CID 155077019
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide
CID 126504238
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 57826757
4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
CID 127049218
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]furan-2-carboxamide
CID 127052920
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide
CID 127052921
N-[(3S,4S,6S)-6-(2-amino-2-oxoethyl)-4-(3,4-dichlorophenyl)piperidin-3-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 155513578
4-bromo-5-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]furan-2-carboxamide
CID 155513852
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-6-[2-(cyclobutylamino)-2-oxoethyl]-4-(3,4-dichlorophenyl)piperidin-3-yl]furan-2-carboxamide
CID 155519231
2-[(2S,4S,5S)-5-[[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carbonyl]amino]-4-(3,4-dichlorophenyl)piperidin-2-yl]acetic acid
CID 155519583
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6R)-4-(3,4-dichlorophenyl)-6-prop-2-enylpiperidin-3-yl]furan-2-carboxamide
CID 155520797

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide (CID 127049827) is 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide is Cn1ncc(Br)c1-c1coc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is COKTXHHYCCULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrCl2N4O2/c1-27-18(14(21)10-25-27)12-8-17(29-11-12)19(28)26-20(4-6-24-7-5-20)13-2-3-15(22)16(23)9-13/h2-3,8-11,24H,4-7H2,1H3,(H,26,28).
What are the key properties of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide?
4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 498.21 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 127049827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).