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

C22H27N5O2 — CID 71714628

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C22H27N5O2/c1-29-12-11-27-9-6-16(7-10-27)14-24-22(28)21-19-13-17(4-5-20(19)25-26-21)18-3-2-8-23-15-18/h2-5,8,13,15-16H,6-7,9-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyZQGJOSYZPOWNDE-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.71
Rot. Bonds7

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

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 71714628) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID71714628
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C22H27N5O2/c1-29-12-11-27-9-6-16(7-10-27)14-24-22(28)21-19-13-17(4-5-20(19)25-26-21)18-3-2-8-23-15-18/h2-5,8,13,15-16H,6-7,9-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyZQGJOSYZPOWNDE-UHFFFAOYSA-N
XLogP2.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 71714628) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is ZQGJOSYZPOWNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-29-12-11-27-9-6-16(7-10-27)14-24-22(28)21-19-13-17(4-5-20(19)25-26-21)18-3-2-8-23-15-18/h2-5,8,13,15-16H,6-7,9-12,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 71714628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).