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

C21H23N5O2 — CID 59276258

IUPAC3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(C[C@H]5CCOC5)n4n3)ccc21
InChIInChI=1S/C21H23N5O2/c1-21(2)16-7-6-14(11-17(16)23-19(21)27)22-20-24-18-5-3-4-15(26(18)25-20)10-13-8-9-28-12-13/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,25)(H,23,27)/t13-/m1/s1
InChIKeyCWJRDDFRCGQBDO-CYBMUJFWSA-N
MW377.45 g/mol
LogP3.28
Rot. Bonds4

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

3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (PubChem CID 59276258) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
PubChem CID59276258
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(C[C@H]5CCOC5)n4n3)ccc21
InChIInChI=1S/C21H23N5O2/c1-21(2)16-7-6-14(11-17(16)23-19(21)27)22-20-24-18-5-3-4-15(26(18)25-20)10-13-8-9-28-12-13/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,25)(H,23,27)/t13-/m1/s1
InChIKeyCWJRDDFRCGQBDO-CYBMUJFWSA-N
XLogP3.28
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one (CID 59276258) is 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[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-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4cccc(C[C@H]5CCOC5)n4n3)ccc21.
What is the InChIKey of 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
The InChIKey is CWJRDDFRCGQBDO-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-21(2)16-7-6-14(11-17(16)23-19(21)27)22-20-24-18-5-3-4-15(26(18)25-20)10-13-8-9-28-12-13/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,25)(H,23,27)/t13-/m1/s1.
What are the key properties of 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one?
3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one has a molecular weight of 377.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 59276258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).