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

C29H25FN6O2 — CID 89450559

IUPACN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C29H25FN6O2/c30-22-4-3-5-24(14-22)38-27-9-7-23(17-32-27)33-29(37)28-25-13-20(6-8-26(25)34-35-28)21-12-19(15-31-16-21)18-36-10-1-2-11-36/h3-9,12-17H,1-2,10-11,18H2,(H,33,37)(H,34,35)
InChIKeyPUIMQPPWNDPQDG-UHFFFAOYSA-N
MW508.56 g/mol
LogP5.80
Rot. Bonds7

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

N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450559) has the molecular formula C29H25FN6O2 and a molecular weight of 508.56 g/mol. Its IUPAC name is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450559
Molecular FormulaC29H25FN6O2
Molecular Weight508.56 g/mol
Exact Mass508.20
IUPAC NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12
InChIInChI=1S/C29H25FN6O2/c30-22-4-3-5-24(14-22)38-27-9-7-23(17-32-27)33-29(37)28-25-13-20(6-8-26(25)34-35-28)21-12-19(15-31-16-21)18-36-10-1-2-11-36/h3-9,12-17H,1-2,10-11,18H2,(H,33,37)(H,34,35)
InChIKeyPUIMQPPWNDPQDG-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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450559) is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.
What is the InChIKey of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is PUIMQPPWNDPQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O2/c30-22-4-3-5-24(14-22)38-27-9-7-23(17-32-27)33-29(37)28-25-13-20(6-8-26(25)34-35-28)21-12-19(15-31-16-21)18-36-10-1-2-11-36/h3-9,12-17H,1-2,10-11,18H2,(H,33,37)(H,34,35).
What are the key properties of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(3-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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).