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

C22H27N5O2 — CID 127034979

IUPAC5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccncc4)CC3)c2c1
InChIInChI=1S/C22H27N5O2/c1-29-18-2-3-20-19(14-18)21(26-25-20)22(28)24-15-17-7-12-27(13-8-17)11-6-16-4-9-23-10-5-16/h2-5,9-10,14,17H,6-8,11-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyBUJKQWMOMPXBJM-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.65
Rot. Bonds7

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

5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 127034979) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID127034979
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccncc4)CC3)c2c1
InChIInChI=1S/C22H27N5O2/c1-29-18-2-3-20-19(14-18)21(26-25-20)22(28)24-15-17-7-12-27(13-8-17)11-6-16-4-9-23-10-5-16/h2-5,9-10,14,17H,6-8,11-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyBUJKQWMOMPXBJM-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 127034979) is 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccncc4)CC3)c2c1.
What is the InChIKey of 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is BUJKQWMOMPXBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-29-18-2-3-20-19(14-18)21(26-25-20)22(28)24-15-17-7-12-27(13-8-17)11-6-16-4-9-23-10-5-16/h2-5,9-10,14,17H,6-8,11-13,15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127034979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).