(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide

C19H18ClN7O2 — CID 71252770

IUPAC(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)[C@@H](C)Nc2cncc(-c3c[nH]c4ncc(Cl)cc34)n2)no1
InChIInChI=1S/C19H18ClN7O2/c1-10-3-13(27-29-10)6-24-19(28)11(2)25-17-9-21-8-16(26-17)15-7-23-18-14(15)4-12(20)5-22-18/h3-5,7-9,11H,6H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)/t11-/m1/s1
InChIKeyUVHQSXYJONRSLT-LLVKDONJSA-N
MW411.85 g/mol
LogP3.09
Rot. Bonds6

About (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide

(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (PubChem CID 71252770) has the molecular formula C19H18ClN7O2 and a molecular weight of 411.85 g/mol. Its IUPAC name is (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
PubChem CID71252770
Molecular FormulaC19H18ClN7O2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC Name(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)[C@@H](C)Nc2cncc(-c3c[nH]c4ncc(Cl)cc34)n2)no1
InChIInChI=1S/C19H18ClN7O2/c1-10-3-13(27-29-10)6-24-19(28)11(2)25-17-9-21-8-16(26-17)15-7-23-18-14(15)4-12(20)5-22-18/h3-5,7-9,11H,6H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)/t11-/m1/s1
InChIKeyUVHQSXYJONRSLT-LLVKDONJSA-N
XLogP3.09
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The IUPAC name of (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (CID 71252770) is (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is Cc1cc(CNC(=O)[C@@H](C)Nc2cncc(-c3c[nH]c4ncc(Cl)cc34)n2)no1.
What is the InChIKey of (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The InChIKey is UVHQSXYJONRSLT-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18ClN7O2/c1-10-3-13(27-29-10)6-24-19(28)11(2)25-17-9-21-8-16(26-17)15-7-23-18-14(15)4-12(20)5-22-18/h3-5,7-9,11H,6H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)/t11-/m1/s1.
What are the key properties of (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide has a molecular weight of 411.85 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is sourced from PubChem (CID 71252770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).