[4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol

C24H27N5O2 — CID 165437038

IUPAC[4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
SMILESCC1=C(c2cc(N3CCOCC3C)nc(-c3cc(CO)cc4[nH]ccc34)n2)C(C)N=C1
InChIInChI=1S/C24H27N5O2/c1-14-11-26-16(3)23(14)21-10-22(29-6-7-31-13-15(29)2)28-24(27-21)19-8-17(12-30)9-20-18(19)4-5-25-20/h4-5,8-11,15-16,25,30H,6-7,12-13H2,1-3H3
InChIKeyUAUGBGOCXDURHF-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.59
Rot. Bonds4

About [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol

[4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol (PubChem CID 165437038) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol.

Molecular Properties

Compound Name[4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
PubChem CID165437038
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
SMILESCC1=C(c2cc(N3CCOCC3C)nc(-c3cc(CO)cc4[nH]ccc34)n2)C(C)N=C1
InChIInChI=1S/C24H27N5O2/c1-14-11-26-16(3)23(14)21-10-22(29-6-7-31-13-15(29)2)28-24(27-21)19-8-17(12-30)9-20-18(19)4-5-25-20/h4-5,8-11,15-16,25,30H,6-7,12-13H2,1-3H3
InChIKeyUAUGBGOCXDURHF-UHFFFAOYSA-N
XLogP3.59
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The IUPAC name of [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol (CID 165437038) is [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol.
What is the SMILES notation for [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The canonical SMILES for [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol is CC1=C(c2cc(N3CCOCC3C)nc(-c3cc(CO)cc4[nH]ccc34)n2)C(C)N=C1.
What is the InChIKey of [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The InChIKey is UAUGBGOCXDURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-14-11-26-16(3)23(14)21-10-22(29-6-7-31-13-15(29)2)28-24(27-21)19-8-17(12-30)9-20-18(19)4-5-25-20/h4-5,8-11,15-16,25,30H,6-7,12-13H2,1-3H3.
What are the key properties of [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
[4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol has a molecular weight of 417.51 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,4-dimethyl-2H-pyrrol-3-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol is sourced from PubChem (CID 165437038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).