5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C27H29N7O2 — CID 89450840

IUPAC5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C27H29N7O2/c35-27(30-21-5-7-25(29-17-21)34-8-2-1-3-9-34)26-23-15-19(4-6-24(23)31-32-26)20-14-22(18-28-16-20)33-10-12-36-13-11-33/h4-7,14-18H,1-3,8-13H2,(H,30,35)(H,31,32)
InChIKeyLYFTYKZCSRGYRW-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.10
Rot. Bonds5

About 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450840) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450840
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C27H29N7O2/c35-27(30-21-5-7-25(29-17-21)34-8-2-1-3-9-34)26-23-15-19(4-6-24(23)31-32-26)20-14-22(18-28-16-20)33-10-12-36-13-11-33/h4-7,14-18H,1-3,8-13H2,(H,30,35)(H,31,32)
InChIKeyLYFTYKZCSRGYRW-UHFFFAOYSA-N
XLogP4.10
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450840) is 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is LYFTYKZCSRGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c35-27(30-21-5-7-25(29-17-21)34-8-2-1-3-9-34)26-23-15-19(4-6-24(23)31-32-26)20-14-22(18-28-16-20)33-10-12-36-13-11-33/h4-7,14-18H,1-3,8-13H2,(H,30,35)(H,31,32).
What are the key properties of 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).