N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide

C24H19N5O2 — CID 23649174

IUPACN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4cccc5cc[nH]c45)c3)ccn2)cn1
InChIInChI=1S/C24H19N5O2/c1-29-15-17(14-27-29)22-13-20(9-11-25-22)31-19-6-3-5-18(12-19)28-24(30)21-7-2-4-16-8-10-26-23(16)21/h2-15,26H,1H3,(H,28,30)
InChIKeyKVBHWTYLEDHEOC-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.01
Rot. Bonds5

About N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide

N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide (PubChem CID 23649174) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide
PubChem CID23649174
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide
SMILESCn1cc(-c2cc(Oc3cccc(NC(=O)c4cccc5cc[nH]c45)c3)ccn2)cn1
InChIInChI=1S/C24H19N5O2/c1-29-15-17(14-27-29)22-13-20(9-11-25-22)31-19-6-3-5-18(12-19)28-24(30)21-7-2-4-16-8-10-26-23(16)21/h2-15,26H,1H3,(H,28,30)
InChIKeyKVBHWTYLEDHEOC-UHFFFAOYSA-N
XLogP5.01
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide (CID 23649174) is N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide is Cn1cc(-c2cc(Oc3cccc(NC(=O)c4cccc5cc[nH]c45)c3)ccn2)cn1.
What is the InChIKey of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?
The InChIKey is KVBHWTYLEDHEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-29-15-17(14-27-29)22-13-20(9-11-25-22)31-19-6-3-5-18(12-19)28-24(30)21-7-2-4-16-8-10-26-23(16)21/h2-15,26H,1H3,(H,28,30).
What are the key properties of N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 23649174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).