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

C28H31N5O2 — CID 127037292

IUPAC5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C28H31N5O2/c1-35-26-9-13-29-19-24(26)22-7-8-25-23(17-22)27(32-31-25)28(34)30-18-21-11-15-33(16-12-21)14-10-20-5-3-2-4-6-20/h2-9,13,17,19,21H,10-12,14-16,18H2,1H3,(H,30,34)(H,31,32)
InChIKeySWKXIDUZBHFSRB-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.32
Rot. Bonds8

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

5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 127037292) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID127037292
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C28H31N5O2/c1-35-26-9-13-29-19-24(26)22-7-8-25-23(17-22)27(32-31-25)28(34)30-18-21-11-15-33(16-12-21)14-10-20-5-3-2-4-6-20/h2-9,13,17,19,21H,10-12,14-16,18H2,1H3,(H,30,34)(H,31,32)
InChIKeySWKXIDUZBHFSRB-UHFFFAOYSA-N
XLogP4.32
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 127037292) is 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccccc4)CC3)c2c1.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is SWKXIDUZBHFSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-35-26-9-13-29-19-24(26)22-7-8-25-23(17-22)27(32-31-25)28(34)30-18-21-11-15-33(16-12-21)14-10-20-5-3-2-4-6-20/h2-9,13,17,19,21H,10-12,14-16,18H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127037292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).