2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol

C20H19N5O — CID 25118331

IUPAC2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol
SMILESCc1[nH]c2ccc(O)cc2c1CCNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H19N5O/c1-13-16(17-11-15(26)4-5-19(17)24-13)6-9-22-20-23-10-7-18(25-20)14-3-2-8-21-12-14/h2-5,7-8,10-12,24,26H,6,9H2,1H3,(H,22,23,25)
InChIKeyDFVWFHPVZWDVFV-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.69
Rot. Bonds5

About 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol

2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol (PubChem CID 25118331) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol
PubChem CID25118331
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol
SMILESCc1[nH]c2ccc(O)cc2c1CCNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H19N5O/c1-13-16(17-11-15(26)4-5-19(17)24-13)6-9-22-20-23-10-7-18(25-20)14-3-2-8-21-12-14/h2-5,7-8,10-12,24,26H,6,9H2,1H3,(H,22,23,25)
InChIKeyDFVWFHPVZWDVFV-UHFFFAOYSA-N
XLogP3.69
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 9803626
Torkinib
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RP107
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6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5-methyl-
CID 149479
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5,11-dimethyl-
CID 149480
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5,6,11-trimethyl-, hydrate
CID 3068873
3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol
CID 2438
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8d
CID 6539308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol?
The IUPAC name of 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol (CID 25118331) is 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol is Cc1[nH]c2ccc(O)cc2c1CCNc1nccc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol?
The InChIKey is DFVWFHPVZWDVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-16(17-11-15(26)4-5-19(17)24-13)6-9-22-20-23-10-7-18(25-20)14-3-2-8-21-12-14/h2-5,7-8,10-12,24,26H,6,9H2,1H3,(H,22,23,25).
What are the key properties of 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol?
2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol has a molecular weight of 345.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 25118331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).