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

C22H25N5O3 — CID 46183048

IUPAC6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(C(O)C5CCOCC5)n4n3)ccc21
InChIInChI=1S/C22H25N5O3/c1-22(2)15-7-6-14(12-16(15)24-20(22)29)23-21-25-18-5-3-4-17(27(18)26-21)19(28)13-8-10-30-11-9-13/h3-7,12-13,19,28H,8-11H2,1-2H3,(H,23,26)(H,24,29)
InChIKeyGGMUQICDPNPJLW-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.16
Rot. Bonds4

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

6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one (PubChem CID 46183048) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
PubChem CID46183048
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4cccc(C(O)C5CCOCC5)n4n3)ccc21
InChIInChI=1S/C22H25N5O3/c1-22(2)15-7-6-14(12-16(15)24-20(22)29)23-21-25-18-5-3-4-17(27(18)26-21)19(28)13-8-10-30-11-9-13/h3-7,12-13,19,28H,8-11H2,1-2H3,(H,23,26)(H,24,29)
InChIKeyGGMUQICDPNPJLW-UHFFFAOYSA-N
XLogP3.16
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one (CID 46183048) is 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4cccc(C(O)C5CCOCC5)n4n3)ccc21.
What is the InChIKey of 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is GGMUQICDPNPJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2)15-7-6-14(12-16(15)24-20(22)29)23-21-25-18-5-3-4-17(27(18)26-21)19(28)13-8-10-30-11-9-13/h3-7,12-13,19,28H,8-11H2,1-2H3,(H,23,26)(H,24,29).
What are the key properties of 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[hydroxy(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 46183048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).