7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C24H17N5O2S — CID 20866919

IUPAC7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(Nc2ccc3oc(-c4cccnc4)nc3c2)N1Cc1cccs1
InChIInChI=1S/C24H17N5O2S/c30-24-18-6-2-10-26-21(18)22(29(24)14-17-5-3-11-32-17)27-16-7-8-20-19(12-16)28-23(31-20)15-4-1-9-25-13-15/h1-13,22,27H,14H2
InChIKeyJHCPLPHOFLILSR-UHFFFAOYSA-N
MW439.50 g/mol
LogP5.11
Rot. Bonds5

About 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 20866919) has the molecular formula C24H17N5O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID20866919
Molecular FormulaC24H17N5O2S
Molecular Weight439.50 g/mol
Exact Mass439.11
IUPAC Name7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(Nc2ccc3oc(-c4cccnc4)nc3c2)N1Cc1cccs1
InChIInChI=1S/C24H17N5O2S/c30-24-18-6-2-10-26-21(18)22(29(24)14-17-5-3-11-32-17)27-16-7-8-20-19(12-16)28-23(31-20)15-4-1-9-25-13-15/h1-13,22,27H,14H2
InChIKeyJHCPLPHOFLILSR-UHFFFAOYSA-N
XLogP5.11
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]-2-thiophenecarboxamide
CID 714050
(2S,4R)-4-(benzenesulfonyl)-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 71624243
N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine
CID 71233803
5-Isothiocyanato-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzoxazole
CID 12781898
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
CID 768720
N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]isonicotinamide
CID 774915
N-isobutyryl-N'-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]thiourea
CID 2994212
3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide
CID 3541832
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 134798650
2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 134799573
2-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 134800093

Frequently Asked Questions

What is the IUPAC name of 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 20866919) is 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(Nc2ccc3oc(-c4cccnc4)nc3c2)N1Cc1cccs1.
What is the InChIKey of 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JHCPLPHOFLILSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2S/c30-24-18-6-2-10-26-21(18)22(29(24)14-17-5-3-11-32-17)27-16-7-8-20-19(12-16)28-23(31-20)15-4-1-9-25-13-15/h1-13,22,27H,14H2.
What are the key properties of 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 439.50 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20866919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).