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

C28H30FN7O2 — CID 89450988

IUPACN-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C28H30FN7O2/c29-24-14-22(17-31-27(24)36-8-10-38-11-9-36)32-28(37)26-23-13-20(4-5-25(23)33-34-26)21-12-19(15-30-16-21)18-35-6-2-1-3-7-35/h4-5,12-17H,1-3,6-11,18H2,(H,32,37)(H,33,34)
InChIKeyOHAYEOSCWUEANF-UHFFFAOYSA-N
MW515.59 g/mol
LogP4.23
Rot. Bonds6

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

N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450988) has the molecular formula C28H30FN7O2 and a molecular weight of 515.59 g/mol. Its IUPAC name is N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450988
Molecular FormulaC28H30FN7O2
Molecular Weight515.59 g/mol
Exact Mass515.24
IUPAC NameN-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C28H30FN7O2/c29-24-14-22(17-31-27(24)36-8-10-38-11-9-36)32-28(37)26-23-13-20(4-5-25(23)33-34-26)21-12-19(15-30-16-21)18-35-6-2-1-3-7-35/h4-5,12-17H,1-3,6-11,18H2,(H,32,37)(H,33,34)
InChIKeyOHAYEOSCWUEANF-UHFFFAOYSA-N
XLogP4.23
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450988) is N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cnc(N2CCOCC2)c(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is OHAYEOSCWUEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O2/c29-24-14-22(17-31-27(24)36-8-10-38-11-9-36)32-28(37)26-23-13-20(4-5-25(23)33-34-26)21-12-19(15-30-16-21)18-35-6-2-1-3-7-35/h4-5,12-17H,1-3,6-11,18H2,(H,32,37)(H,33,34).
What are the key properties of N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).