2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide

C22H23ClN4O2 — CID 129157829

IUPAC2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide
SMILESCc1c(C(N)=O)ccc2nn(CC3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc12
InChIInChI=1S/C22H23ClN4O2/c1-14-18(21(24)28)6-7-20-19(14)13-27(25-20)12-15-8-10-26(11-9-15)22(29)16-2-4-17(23)5-3-16/h2-7,13,15H,8-12H2,1H3,(H2,24,28)
InChIKeyALEMFKFYMPJXNA-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.65
Rot. Bonds4

About 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide

2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide (PubChem CID 129157829) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide
PubChem CID129157829
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide
SMILESCc1c(C(N)=O)ccc2nn(CC3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc12
InChIInChI=1S/C22H23ClN4O2/c1-14-18(21(24)28)6-7-20-19(14)13-27(25-20)12-15-8-10-26(11-9-15)22(29)16-2-4-17(23)5-3-16/h2-7,13,15H,8-12H2,1H3,(H2,24,28)
InChIKeyALEMFKFYMPJXNA-UHFFFAOYSA-N
XLogP3.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide?
The IUPAC name of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide (CID 129157829) is 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide?
The canonical SMILES for 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide is Cc1c(C(N)=O)ccc2nn(CC3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc12.
What is the InChIKey of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide?
The InChIKey is ALEMFKFYMPJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14-18(21(24)28)6-7-20-19(14)13-27(25-20)12-15-8-10-26(11-9-15)22(29)16-2-4-17(23)5-3-16/h2-7,13,15H,8-12H2,1H3,(H2,24,28).
What are the key properties of 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide?
2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorobenzoyl)piperidin-4-yl]methyl]-4-methylindazole-5-carboxamide is sourced from PubChem (CID 129157829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).