N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C26H27N5O2 — CID 171343562

IUPACN-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1
InChIInChI=1S/C26H27N5O2/c1-33-22-8-6-21(7-9-22)28-26(32)25-23-14-19(5-10-24(23)29-30-25)20-13-18(15-27-16-20)17-31-11-3-2-4-12-31/h5-10,13-16H,2-4,11-12,17H2,1H3,(H,28,32)(H,29,30)
InChIKeyCFILOJHRUADYDF-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.87
Rot. Bonds6

About N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 171343562) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID171343562
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1
InChIInChI=1S/C26H27N5O2/c1-33-22-8-6-21(7-9-22)28-26(32)25-23-14-19(5-10-24(23)29-30-25)20-13-18(15-27-16-20)17-31-11-3-2-4-12-31/h5-10,13-16H,2-4,11-12,17H2,1H3,(H,28,32)(H,29,30)
InChIKeyCFILOJHRUADYDF-UHFFFAOYSA-N
XLogP4.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 171343562) is N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is CFILOJHRUADYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-33-22-8-6-21(7-9-22)28-26(32)25-23-14-19(5-10-24(23)29-30-25)20-13-18(15-27-16-20)17-31-11-3-2-4-12-31/h5-10,13-16H,2-4,11-12,17H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 171343562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).