[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol

C27H31N5O — CID 164553605

IUPAC[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(N5CCN(C)C(CO)C5)nc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C27H31N5O/c1-17-11-22(12-18(2)29-17)27-19(3)24-7-5-20(13-25(24)30-27)21-6-8-26(28-14-21)32-10-9-31(4)23(15-32)16-33/h5-8,11-14,23,30,33H,9-10,15-16H2,1-4H3
InChIKeyGZQFGWKSAKGLNI-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.33
Rot. Bonds4

About [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol

[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 164553605) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol
PubChem CID164553605
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(N5CCN(C)C(CO)C5)nc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C27H31N5O/c1-17-11-22(12-18(2)29-17)27-19(3)24-7-5-20(13-25(24)30-27)21-6-8-26(28-14-21)32-10-9-31(4)23(15-32)16-33/h5-8,11-14,23,30,33H,9-10,15-16H2,1-4H3
InChIKeyGZQFGWKSAKGLNI-UHFFFAOYSA-N
XLogP4.33
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol (CID 164553605) is [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol is Cc1cc(-c2[nH]c3cc(-c4ccc(N5CCN(C)C(CO)C5)nc4)ccc3c2C)cc(C)n1.
What is the InChIKey of [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is GZQFGWKSAKGLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-17-11-22(12-18(2)29-17)27-19(3)24-7-5-20(13-25(24)30-27)21-6-8-26(28-14-21)32-10-9-31(4)23(15-32)16-33/h5-8,11-14,23,30,33H,9-10,15-16H2,1-4H3.
What are the key properties of [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol?
[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 441.58 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 164553605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).