6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one

C26H26N6O2 — CID 147894160

IUPAC6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Cc3nc4c(N5C[C@@H](O)C[C@H]5c5ccccc5)nccn4n3)ccc21
InChIInChI=1S/C26H26N6O2/c1-26(2)19-9-8-16(12-20(19)28-25(26)34)13-22-29-24-23(27-10-11-32(24)30-22)31-15-18(33)14-21(31)17-6-4-3-5-7-17/h3-12,18,21,33H,13-15H2,1-2H3,(H,28,34)/t18-,21-/m0/s1
InChIKeyICYWSRWCBVVCNU-RXVVDRJESA-N
MW454.53 g/mol
LogP3.26
Rot. Bonds4

About 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one

6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 147894160) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID147894160
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Cc3nc4c(N5C[C@@H](O)C[C@H]5c5ccccc5)nccn4n3)ccc21
InChIInChI=1S/C26H26N6O2/c1-26(2)19-9-8-16(12-20(19)28-25(26)34)13-22-29-24-23(27-10-11-32(24)30-22)31-15-18(33)14-21(31)17-6-4-3-5-7-17/h3-12,18,21,33H,13-15H2,1-2H3,(H,28,34)/t18-,21-/m0/s1
InChIKeyICYWSRWCBVVCNU-RXVVDRJESA-N
XLogP3.26
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one (CID 147894160) is 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Cc3nc4c(N5C[C@@H](O)C[C@H]5c5ccccc5)nccn4n3)ccc21.
What is the InChIKey of 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is ICYWSRWCBVVCNU-RXVVDRJESA-N. The full InChI is InChI=1S/C26H26N6O2/c1-26(2)19-9-8-16(12-20(19)28-25(26)34)13-22-29-24-23(27-10-11-32(24)30-22)31-15-18(33)14-21(31)17-6-4-3-5-7-17/h3-12,18,21,33H,13-15H2,1-2H3,(H,28,34)/t18-,21-/m0/s1.
What are the key properties of 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one?
6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 454.53 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 147894160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).