3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

C15H17N5O2 — CID 126472249

IUPAC3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)[C@H](CO)n1c(=O)[nH]c2ncc(-c3cccnc3)nc21
InChIInChI=1S/C15H17N5O2/c1-9(2)12(8-21)20-14-13(19-15(20)22)17-7-11(18-14)10-4-3-5-16-6-10/h3-7,9,12,21H,8H2,1-2H3,(H,17,19,22)/t12-/m0/s1
InChIKeyPKOYXGJFJZKQQE-LBPRGKRZSA-N
MW299.33 g/mol
LogP1.37
Rot. Bonds4

About 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126472249) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126472249
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)[C@H](CO)n1c(=O)[nH]c2ncc(-c3cccnc3)nc21
InChIInChI=1S/C15H17N5O2/c1-9(2)12(8-21)20-14-13(19-15(20)22)17-7-11(18-14)10-4-3-5-16-6-10/h3-7,9,12,21H,8H2,1-2H3,(H,17,19,22)/t12-/m0/s1
InChIKeyPKOYXGJFJZKQQE-LBPRGKRZSA-N
XLogP1.37
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672556
Win 62005
CID 5492217
(R)-2-(9-Isopropyl-6-(pyridin-3-ylmethylamino)-9H-purin-2-ylamino)butan-1-ol
CID 10247627
6-Amino-2-(butylamino)-9-((6-methylpyridin-3-yl)methyl)-7,9-dihydro-8H-purin-8-one
CID 10359083
N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848857
(3RS,4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111410
(2R)-2-[[9-propan-2-yl-6-(pyridin-4-ylmethylamino)purin-2-yl]amino]butan-1-ol
CID 24782039
5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24983588
2H-Imidazo[4,5-b]pyrazin-2-one, 1,3-dihydro-6-[6-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(tetrahydro-2H-pyran-4-yl)methyl]-
CID 24983749
2-(4-(6-(Pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)piperazin-1-yl)ethanol
CID 46216813

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 126472249) is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)[C@H](CO)n1c(=O)[nH]c2ncc(-c3cccnc3)nc21.
What is the InChIKey of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is PKOYXGJFJZKQQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9(2)12(8-21)20-14-13(19-15(20)22)17-7-11(18-14)10-4-3-5-16-6-10/h3-7,9,12,21H,8H2,1-2H3,(H,17,19,22)/t12-/m0/s1.
What are the key properties of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126472249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).