N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

C22H24Cl2N4O2 — CID 71680627

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1
InChIInChI=1S/C22H24Cl2N4O2/c1-30-17-4-5-20-18(11-17)21(27-26-20)22(29)25-12-14-6-8-28(9-7-14)13-15-2-3-16(23)10-19(15)24/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyYCTKWXLLTRJPAD-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.52
Rot. Bonds6

About N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide

N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (PubChem CID 71680627) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
PubChem CID71680627
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1
InChIInChI=1S/C22H24Cl2N4O2/c1-30-17-4-5-20-18(11-17)21(27-26-20)22(29)25-12-14-6-8-28(9-7-14)13-15-2-3-16(23)10-19(15)24/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyYCTKWXLLTRJPAD-UHFFFAOYSA-N
XLogP4.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide (CID 71680627) is N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
The InChIKey is YCTKWXLLTRJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-30-17-4-5-20-18(11-17)21(27-26-20)22(29)25-12-14-6-8-28(9-7-14)13-15-2-3-16(23)10-19(15)24/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide?
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide has a molecular weight of 447.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide is sourced from PubChem (CID 71680627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).