2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C22H21N5O2 — CID 71241965

IUPAC2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCC(C)n1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C22H21N5O2/c1-14(2)27-12-16(11-26-27)15-9-19-17(5-3-7-24-19)21(10-15)29-13-20-18(22(23)28)6-4-8-25-20/h3-12,14H,13H2,1-2H3,(H2,23,28)
InChIKeyNBPRPQQRIKTRIG-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.75
Rot. Bonds6

About 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241965) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241965
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCC(C)n1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C22H21N5O2/c1-14(2)27-12-16(11-26-27)15-9-19-17(5-3-7-24-19)21(10-15)29-13-20-18(22(23)28)6-4-8-25-20/h3-12,14H,13H2,1-2H3,(H2,23,28)
InChIKeyNBPRPQQRIKTRIG-UHFFFAOYSA-N
XLogP3.75
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241965) is 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is CC(C)n1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.
What is the InChIKey of 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is NBPRPQQRIKTRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(2)27-12-16(11-26-27)15-9-19-17(5-3-7-24-19)21(10-15)29-13-20-18(22(23)28)6-4-8-25-20/h3-12,14H,13H2,1-2H3,(H2,23,28).
What are the key properties of 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).