(2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol

C23H28N6O2 — CID 170745843

IUPAC(2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol
SMILESCc1noc2cc(-c3c[nH]c4ncccc34)nc(N3CCN[C@H]([C@](C)(O)C(C)C)C3)c12
InChIInChI=1S/C23H28N6O2/c1-13(2)23(4,30)19-12-29(9-8-24-19)22-20-14(3)28-31-18(20)10-17(27-22)16-11-26-21-15(16)6-5-7-25-21/h5-7,10-11,13,19,24,30H,8-9,12H2,1-4H3,(H,25,26)/t19-,23+/m0/s1
InChIKeySAFSYNHGICSCJO-WMZHIEFXSA-N
MW420.52 g/mol
LogP3.26
Rot. Bonds4

About (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol

(2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol (PubChem CID 170745843) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol
PubChem CID170745843
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name(2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol
SMILESCc1noc2cc(-c3c[nH]c4ncccc34)nc(N3CCN[C@H]([C@](C)(O)C(C)C)C3)c12
InChIInChI=1S/C23H28N6O2/c1-13(2)23(4,30)19-12-29(9-8-24-19)22-20-14(3)28-31-18(20)10-17(27-22)16-11-26-21-15(16)6-5-7-25-21/h5-7,10-11,13,19,24,30H,8-9,12H2,1-4H3,(H,25,26)/t19-,23+/m0/s1
InChIKeySAFSYNHGICSCJO-WMZHIEFXSA-N
XLogP3.26
TPSA103.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol?
The IUPAC name of (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol (CID 170745843) is (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol.
What is the SMILES notation for (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol?
The canonical SMILES for (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol is Cc1noc2cc(-c3c[nH]c4ncccc34)nc(N3CCN[C@H]([C@](C)(O)C(C)C)C3)c12.
What is the InChIKey of (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol?
The InChIKey is SAFSYNHGICSCJO-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-13(2)23(4,30)19-12-29(9-8-24-19)22-20-14(3)28-31-18(20)10-17(27-22)16-11-26-21-15(16)6-5-7-25-21/h5-7,10-11,13,19,24,30H,8-9,12H2,1-4H3,(H,25,26)/t19-,23+/m0/s1.
What are the key properties of (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol?
(2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol has a molecular weight of 420.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2S)-4-[3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]piperazin-2-yl]butan-2-ol is sourced from PubChem (CID 170745843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).