N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine

C18H20N4O — CID 75386367

IUPACN-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine
SMILESc1ccc(N2CCOCC2)c(CNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C18H20N4O/c1-2-4-18(22-7-9-23-10-8-22)14(3-1)12-19-16-5-6-17-15(11-16)13-20-21-17/h1-6,11,13,19H,7-10,12H2,(H,20,21)
InChIKeyPTOHFMMUUMRIAC-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.01
Rot. Bonds4

About N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine

N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine (PubChem CID 75386367) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine
PubChem CID75386367
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine
SMILESc1ccc(N2CCOCC2)c(CNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C18H20N4O/c1-2-4-18(22-7-9-23-10-8-22)14(3-1)12-19-16-5-6-17-15(11-16)13-20-21-17/h1-6,11,13,19H,7-10,12H2,(H,20,21)
InChIKeyPTOHFMMUUMRIAC-UHFFFAOYSA-N
XLogP3.01
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine (CID 75386367) is N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine is c1ccc(N2CCOCC2)c(CNc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is PTOHFMMUUMRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-4-18(22-7-9-23-10-8-22)14(3-1)12-19-16-5-6-17-15(11-16)13-20-21-17/h1-6,11,13,19H,7-10,12H2,(H,20,21).
What are the key properties of N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine?
N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 308.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 75386367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).