3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one

C21H24N6O2 — CID 46184975

IUPAC3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCN(c1cccc2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nn12)[C@H]1CCOC1
InChIInChI=1S/C21H24N6O2/c1-21(2)15-8-7-13(11-16(15)23-19(21)28)22-20-24-17-5-4-6-18(27(17)25-20)26(3)14-9-10-29-12-14/h4-8,11,14H,9-10,12H2,1-3H3,(H,22,25)(H,23,28)/t14-/m0/s1
InChIKeySJABCXUDRBEFGN-AWEZNQCLSA-N
MW392.46 g/mol
LogP2.93
Rot. Bonds4

About 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one

3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (PubChem CID 46184975) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
PubChem CID46184975
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCN(c1cccc2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nn12)[C@H]1CCOC1
InChIInChI=1S/C21H24N6O2/c1-21(2)15-8-7-13(11-16(15)23-19(21)28)22-20-24-17-5-4-6-18(27(17)25-20)26(3)14-9-10-29-12-14/h4-8,11,14H,9-10,12H2,1-3H3,(H,22,25)(H,23,28)/t14-/m0/s1
InChIKeySJABCXUDRBEFGN-AWEZNQCLSA-N
XLogP2.93
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (CID 46184975) is 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is CN(c1cccc2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nn12)[C@H]1CCOC1.
What is the InChIKey of 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The InChIKey is SJABCXUDRBEFGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-21(2)15-8-7-13(11-16(15)23-19(21)28)22-20-24-17-5-4-6-18(27(17)25-20)26(3)14-9-10-29-12-14/h4-8,11,14H,9-10,12H2,1-3H3,(H,22,25)(H,23,28)/t14-/m0/s1.
What are the key properties of 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[[5-[methyl-[(3S)-oxolan-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 46184975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).