[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

C13H14ClN5O — CID 114923448

IUPAC[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCNc1cc(C(=O)N2CCn3ccnc3C2)c(Cl)cn1
InChIInChI=1S/C13H14ClN5O/c1-15-11-6-9(10(14)7-17-11)13(20)19-5-4-18-3-2-16-12(18)8-19/h2-3,6-7H,4-5,8H2,1H3,(H,15,17)
InChIKeyRTEHIVJEYKKLBV-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.63
Rot. Bonds2

About [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 114923448) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID114923448
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCNc1cc(C(=O)N2CCn3ccnc3C2)c(Cl)cn1
InChIInChI=1S/C13H14ClN5O/c1-15-11-6-9(10(14)7-17-11)13(20)19-5-4-18-3-2-16-12(18)8-19/h2-3,6-7H,4-5,8H2,1H3,(H,15,17)
InChIKeyRTEHIVJEYKKLBV-UHFFFAOYSA-N
XLogP1.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 114923448) is [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is CNc1cc(C(=O)N2CCn3ccnc3C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is RTEHIVJEYKKLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-15-11-6-9(10(14)7-17-11)13(20)19-5-4-18-3-2-16-12(18)8-19/h2-3,6-7H,4-5,8H2,1H3,(H,15,17).
What are the key properties of [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
[5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 291.74 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)-4-pyridinyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 114923448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).