N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H20N6O2 — CID 73295272

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)nc1
InChIInChI=1S/C17H20N6O2/c1-10-4-5-12(18-6-10)21-13-8-20-15-14(22-13)11(7-19-15)16(25)23-17(2,3)9-24/h4-8,24H,9H2,1-3H3,(H,19,20)(H,23,25)(H,18,21,22)
InChIKeyLYDBEEVIHIWCIK-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.91
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295272) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295272
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)nc1
InChIInChI=1S/C17H20N6O2/c1-10-4-5-12(18-6-10)21-13-8-20-15-14(22-13)11(7-19-15)16(25)23-17(2,3)9-24/h4-8,24H,9H2,1-3H3,(H,19,20)(H,23,25)(H,18,21,22)
InChIKeyLYDBEEVIHIWCIK-UHFFFAOYSA-N
XLogP1.91
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 9951066
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CID 44543082
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
N-Tert-Butyl-2-(5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-1-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71280008
(E)-2-cyano-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-N,N-dimethylprop-2-enamide
CID 71014325
4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
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N-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-3-carboxamide
CID 9858007
(R)-2-(9-Isopropyl-6-(pyridin-3-ylmethylamino)-9H-purin-2-ylamino)butan-1-ol
CID 10247627
(2S3R)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol
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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295272) is N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)nc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LYDBEEVIHIWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-4-5-12(18-6-10)21-13-8-20-15-14(22-13)11(7-19-15)16(25)23-17(2,3)9-24/h4-8,24H,9H2,1-3H3,(H,19,20)(H,23,25)(H,18,21,22).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).