N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide

C22H23N5O2 — CID 134805397

IUPACN-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cnn(C)c3)ccc21
InChIInChI=1S/C22H23N5O2/c1-23-22(28)9-10-27-21-8-7-19(11-17(21)12-25-27)29-15-16-5-3-4-6-20(16)18-13-24-26(2)14-18/h3-8,11-14H,9-10,15H2,1-2H3,(H,23,28)
InChIKeyPQZSKDRLSGEBPC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.15
Rot. Bonds7

About N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide

N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide (PubChem CID 134805397) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide
PubChem CID134805397
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cnn(C)c3)ccc21
InChIInChI=1S/C22H23N5O2/c1-23-22(28)9-10-27-21-8-7-19(11-17(21)12-25-27)29-15-16-5-3-4-6-20(16)18-13-24-26(2)14-18/h3-8,11-14H,9-10,15H2,1-2H3,(H,23,28)
InChIKeyPQZSKDRLSGEBPC-UHFFFAOYSA-N
XLogP3.15
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide (CID 134805397) is N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide is CNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cnn(C)c3)ccc21.
What is the InChIKey of N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide?
The InChIKey is PQZSKDRLSGEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-23-22(28)9-10-27-21-8-7-19(11-17(21)12-25-27)29-15-16-5-3-4-6-20(16)18-13-24-26(2)14-18/h3-8,11-14H,9-10,15H2,1-2H3,(H,23,28).
What are the key properties of N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide?
N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide has a molecular weight of 389.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-[[2-(1-methylpyrazol-4-yl)phenyl]methoxy]indazol-1-yl]propanamide is sourced from PubChem (CID 134805397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).