N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C25H26N6O2 — CID 89451003

IUPACN-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C25H26N6O2/c1-33-23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30)
InChIKeyYDPWZFPXWFTXNT-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.27
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451003) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451003
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C25H26N6O2/c1-33-23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30)
InChIKeyYDPWZFPXWFTXNT-UHFFFAOYSA-N
XLogP4.27
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451003) is N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is YDPWZFPXWFTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-33-23-8-6-20(15-27-23)28-25(32)24-21-12-18(5-7-22(21)29-30-24)19-11-17(13-26-14-19)16-31-9-3-2-4-10-31/h5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).