N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H20N6O2 — CID 67125189

IUPACN-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](O)C(C)(C)NC(=O)c1c[nH]c2ncc(-c3cnn(C)c3)nc12
InChIInChI=1S/C16H20N6O2/c1-9(23)16(2,3)21-15(24)11-6-17-14-13(11)20-12(7-18-14)10-5-19-22(4)8-10/h5-9,23H,1-4H3,(H,17,18)(H,21,24)/t9-/m1/s1
InChIKeyKYYPLAAFALQRQE-SECBINFHSA-N
MW328.38 g/mol
LogP1.25
Rot. Bonds4

About N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67125189) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67125189
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](O)C(C)(C)NC(=O)c1c[nH]c2ncc(-c3cnn(C)c3)nc12
InChIInChI=1S/C16H20N6O2/c1-9(23)16(2,3)21-15(24)11-6-17-14-13(11)20-12(7-18-14)10-5-19-22(4)8-10/h5-9,23H,1-4H3,(H,17,18)(H,21,24)/t9-/m1/s1
InChIKeyKYYPLAAFALQRQE-SECBINFHSA-N
XLogP1.25
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438620
N-[(2R)-1-[(3R)-3-cyanopyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386252
N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 73296269
2-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]anilino]acetonitrile
CID 141466979
4-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzoic acid
CID 59541073
N-(1-ethylcyclopentyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118281068
2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid
CID 71279570
2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540821
2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674990
1-[2-(3-hydroxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540675
2-(6-fluoro-1-methylindazol-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288469
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67125189) is N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](O)C(C)(C)NC(=O)c1c[nH]c2ncc(-c3cnn(C)c3)nc12.
What is the InChIKey of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KYYPLAAFALQRQE-SECBINFHSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-9(23)16(2,3)21-15(24)11-6-17-14-13(11)20-12(7-18-14)10-5-19-22(4)8-10/h5-9,23H,1-4H3,(H,17,18)(H,21,24)/t9-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67125189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).