acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine

C22H23N5O4 — CID 135186060

IUPACacetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine
SMILESCC(=O)O.COc1ccc(Cn2ccc3cc(Oc4cc(CN)ncn4)ccc32)cn1
InChIInChI=1S/C20H19N5O2.C2H4O2/c1-26-19-5-2-14(11-22-19)12-25-7-6-15-8-17(3-4-18(15)25)27-20-9-16(10-21)23-13-24-20;1-2(3)4/h2-9,11,13H,10,12,21H2,1H3;1H3,(H,3,4)
InChIKeyQQRTUIFPESXJJJ-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.23
Rot. Bonds6

About acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine

acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine (PubChem CID 135186060) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine.

Molecular Properties

Compound Nameacetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine
PubChem CID135186060
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Nameacetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine
SMILESCC(=O)O.COc1ccc(Cn2ccc3cc(Oc4cc(CN)ncn4)ccc32)cn1
InChIInChI=1S/C20H19N5O2.C2H4O2/c1-26-19-5-2-14(11-22-19)12-25-7-6-15-8-17(3-4-18(15)25)27-20-9-16(10-21)23-13-24-20;1-2(3)4/h2-9,11,13H,10,12,21H2,1H3;1H3,(H,3,4)
InChIKeyQQRTUIFPESXJJJ-UHFFFAOYSA-N
XLogP3.23
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine 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 acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine?
The IUPAC name of acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine (CID 135186060) is acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine.
What is the SMILES notation for acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine?
The canonical SMILES for acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine is CC(=O)O.COc1ccc(Cn2ccc3cc(Oc4cc(CN)ncn4)ccc32)cn1.
What is the InChIKey of acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine?
The InChIKey is QQRTUIFPESXJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.C2H4O2/c1-26-19-5-2-14(11-22-19)12-25-7-6-15-8-17(3-4-18(15)25)27-20-9-16(10-21)23-13-24-20;1-2(3)4/h2-9,11,13H,10,12,21H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine?
acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine has a molecular weight of 421.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[6-[1-[(6-methoxy-3-pyridinyl)methyl]indol-5-yl]oxypyrimidin-4-yl]methanamine is sourced from PubChem (CID 135186060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).