[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone

C16H17N5O2 — CID 91773011

IUPAC[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCc1cn2cc(C(=O)N3CCn4nc(CO)cc4C3)ccc2n1
InChIInChI=1S/C16H17N5O2/c1-11-7-20-8-12(2-3-15(20)17-11)16(23)19-4-5-21-14(9-19)6-13(10-22)18-21/h2-3,6-8,22H,4-5,9-10H2,1H3
InChIKeyVSHHLXSPRFRGFA-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.99
Rot. Bonds2

About [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone

[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 91773011) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID91773011
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESCc1cn2cc(C(=O)N3CCn4nc(CO)cc4C3)ccc2n1
InChIInChI=1S/C16H17N5O2/c1-11-7-20-8-12(2-3-15(20)17-11)16(23)19-4-5-21-14(9-19)6-13(10-22)18-21/h2-3,6-8,22H,4-5,9-10H2,1H3
InChIKeyVSHHLXSPRFRGFA-UHFFFAOYSA-N
XLogP0.99
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone (CID 91773011) is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone is Cc1cn2cc(C(=O)N3CCn4nc(CO)cc4C3)ccc2n1.
What is the InChIKey of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is VSHHLXSPRFRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-7-20-8-12(2-3-15(20)17-11)16(23)19-4-5-21-14(9-19)6-13(10-22)18-21/h2-3,6-8,22H,4-5,9-10H2,1H3.
What are the key properties of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone?
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 311.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 91773011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).