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

C23H29N5O3 — CID 71714651

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4OC)cc23)CC1
InChIInChI=1S/C23H29N5O3/c1-30-13-12-28-10-7-16(8-11-28)15-25-22(29)21-19-14-17(5-6-20(19)26-27-21)18-4-3-9-24-23(18)31-2/h3-6,9,14,16H,7-8,10-13,15H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyKRBSCFMWTPUYMM-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.72
Rot. Bonds8

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

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 71714651) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID71714651
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4OC)cc23)CC1
InChIInChI=1S/C23H29N5O3/c1-30-13-12-28-10-7-16(8-11-28)15-25-22(29)21-19-14-17(5-6-20(19)26-27-21)18-4-3-9-24-23(18)31-2/h3-6,9,14,16H,7-8,10-13,15H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyKRBSCFMWTPUYMM-UHFFFAOYSA-N
XLogP2.72
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 71714651) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide is COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4OC)cc23)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is KRBSCFMWTPUYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-30-13-12-28-10-7-16(8-11-28)15-25-22(29)21-19-14-17(5-6-20(19)26-27-21)18-4-3-9-24-23(18)31-2/h3-6,9,14,16H,7-8,10-13,15H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(2-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 71714651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).