[4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol

C24H27N7O2 — CID 165437041

IUPAC[4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
SMILESCc1nnc(C2CC2)n1-c1cc(N2CCOCC2C)nc(-c2cc(CO)cc3[nH]ccc23)n1
InChIInChI=1S/C24H27N7O2/c1-14-13-33-8-7-30(14)21-11-22(31-15(2)28-29-24(31)17-3-4-17)27-23(26-21)19-9-16(12-32)10-20-18(19)5-6-25-20/h5-6,9-11,14,17,25,32H,3-4,7-8,12-13H2,1-2H3
InChIKeyOLPCBQYNYUJQEU-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.11
Rot. Bonds5

About [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol

[4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol (PubChem CID 165437041) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol.

Molecular Properties

Compound Name[4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
PubChem CID165437041
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name[4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
SMILESCc1nnc(C2CC2)n1-c1cc(N2CCOCC2C)nc(-c2cc(CO)cc3[nH]ccc23)n1
InChIInChI=1S/C24H27N7O2/c1-14-13-33-8-7-30(14)21-11-22(31-15(2)28-29-24(31)17-3-4-17)27-23(26-21)19-9-16(12-32)10-20-18(19)5-6-25-20/h5-6,9-11,14,17,25,32H,3-4,7-8,12-13H2,1-2H3
InChIKeyOLPCBQYNYUJQEU-UHFFFAOYSA-N
XLogP3.11
TPSA104.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The IUPAC name of [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol (CID 165437041) is [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol.
What is the SMILES notation for [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The canonical SMILES for [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol is Cc1nnc(C2CC2)n1-c1cc(N2CCOCC2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.
What is the InChIKey of [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The InChIKey is OLPCBQYNYUJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-14-13-33-8-7-30(14)21-11-22(31-15(2)28-29-24(31)17-3-4-17)27-23(26-21)19-9-16(12-32)10-20-18(19)5-6-25-20/h5-6,9-11,14,17,25,32H,3-4,7-8,12-13H2,1-2H3.
What are the key properties of [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
[4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol has a molecular weight of 445.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol is sourced from PubChem (CID 165437041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).