N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide

C22H28N4O2 — CID 45270116

IUPACN-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1
InChIInChI=1S/C22H28N4O2/c1-4-6-17(7-5-2)22(27)24-13-16-8-10-20-18(12-16)14-25-26(20)19-9-11-21(28-3)23-15-19/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27)
InChIKeyIGUNWZMHTGDLML-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.26
Rot. Bonds9

About N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide

N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide (PubChem CID 45270116) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
PubChem CID45270116
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1
InChIInChI=1S/C22H28N4O2/c1-4-6-17(7-5-2)22(27)24-13-16-8-10-20-18(12-16)14-25-26(20)19-9-11-21(28-3)23-15-19/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27)
InChIKeyIGUNWZMHTGDLML-UHFFFAOYSA-N
XLogP4.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide (CID 45270116) is N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1.
What is the InChIKey of N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide?
The InChIKey is IGUNWZMHTGDLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-6-17(7-5-2)22(27)24-13-16-8-10-20-18(12-16)14-25-26(20)19-9-11-21(28-3)23-15-19/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27).
What are the key properties of N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide?
N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide has a molecular weight of 380.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 45270116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).