2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

C22H22ClN9O — CID 130227498

IUPAC2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cccc(CN2C(=O)c3nc(-c4nc(Nc5ccnn5C)ncc4Cl)cn3CC2C)n1
InChIInChI=1S/C22H22ClN9O/c1-13-5-4-6-15(26-13)11-32-14(2)10-31-12-17(27-20(31)21(32)33)19-16(23)9-24-22(29-19)28-18-7-8-25-30(18)3/h4-9,12,14H,10-11H2,1-3H3,(H,24,28,29)
InChIKeyMFXVDDUSPPQUJQ-UHFFFAOYSA-N
MW463.93 g/mol
LogP3.22
Rot. Bonds5

About 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 130227498) has the molecular formula C22H22ClN9O and a molecular weight of 463.93 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID130227498
Molecular FormulaC22H22ClN9O
Molecular Weight463.93 g/mol
Exact Mass463.16
IUPAC Name2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cccc(CN2C(=O)c3nc(-c4nc(Nc5ccnn5C)ncc4Cl)cn3CC2C)n1
InChIInChI=1S/C22H22ClN9O/c1-13-5-4-6-15(26-13)11-32-14(2)10-31-12-17(27-20(31)21(32)33)19-16(23)9-24-22(29-19)28-18-7-8-25-30(18)3/h4-9,12,14H,10-11H2,1-3H3,(H,24,28,29)
InChIKeyMFXVDDUSPPQUJQ-UHFFFAOYSA-N
XLogP3.22
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (CID 130227498) is 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is Cc1cccc(CN2C(=O)c3nc(-c4nc(Nc5ccnn5C)ncc4Cl)cn3CC2C)n1.
What is the InChIKey of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is MFXVDDUSPPQUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN9O/c1-13-5-4-6-15(26-13)11-32-14(2)10-31-12-17(27-20(31)21(32)33)19-16(23)9-24-22(29-19)28-18-7-8-25-30(18)3/h4-9,12,14H,10-11H2,1-3H3,(H,24,28,29).
What are the key properties of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 463.93 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-methyl-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 130227498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).