N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C29H25FN6O2 — CID 89450631

IUPACN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C29H25FN6O2/c30-24-5-1-2-6-26(24)38-27-10-8-22(17-32-27)33-29(37)28-23-14-20(7-9-25(23)34-35-28)21-13-19(15-31-16-21)18-36-11-3-4-12-36/h1-2,5-10,13-17H,3-4,11-12,18H2,(H,33,37)(H,34,35)
InChIKeyVECMULOLUYCDCY-UHFFFAOYSA-N
MW508.56 g/mol
LogP5.80
Rot. Bonds7

About N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450631) has the molecular formula C29H25FN6O2 and a molecular weight of 508.56 g/mol. Its IUPAC name is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450631
Molecular FormulaC29H25FN6O2
Molecular Weight508.56 g/mol
Exact Mass508.20
IUPAC NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C29H25FN6O2/c30-24-5-1-2-6-26(24)38-27-10-8-22(17-32-27)33-29(37)28-23-14-20(7-9-25(23)34-35-28)21-13-19(15-31-16-21)18-36-11-3-4-12-36/h1-2,5-10,13-17H,3-4,11-12,18H2,(H,33,37)(H,34,35)
InChIKeyVECMULOLUYCDCY-UHFFFAOYSA-N
XLogP5.80
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450631) is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is VECMULOLUYCDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O2/c30-24-5-1-2-6-26(24)38-27-10-8-22(17-32-27)33-29(37)28-23-14-20(7-9-25(23)34-35-28)21-13-19(15-31-16-21)18-36-11-3-4-12-36/h1-2,5-10,13-17H,3-4,11-12,18H2,(H,33,37)(H,34,35).
What are the key properties of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 508.56 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).