[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C25H29ClN6O2 — CID 90656296

IUPAC[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C25H29ClN6O2/c1-16-9-17(2)24(28-11-16)19-10-22(27-12-20(19)26)31-8-7-30-13-21(29-23(30)14-31)25(33)32-6-4-5-18(32)15-34-3/h9-13,18H,4-8,14-15H2,1-3H3/t18-/m1/s1
InChIKeyDJTWCNZFPKKUQZ-GOSISDBHSA-N
MW481.00 g/mol
LogP3.88
Rot. Bonds5

About [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 90656296) has the molecular formula C25H29ClN6O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID90656296
Molecular FormulaC25H29ClN6O2
Molecular Weight481.00 g/mol
Exact Mass480.20
IUPAC Name[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C25H29ClN6O2/c1-16-9-17(2)24(28-11-16)19-10-22(27-12-20(19)26)31-8-7-30-13-21(29-23(30)14-31)25(33)32-6-4-5-18(32)15-34-3/h9-13,18H,4-8,14-15H2,1-3H3/t18-/m1/s1
InChIKeyDJTWCNZFPKKUQZ-GOSISDBHSA-N
XLogP3.88
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 90656296) is [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@H]1CCCN1C(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2.
What is the InChIKey of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DJTWCNZFPKKUQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29ClN6O2/c1-16-9-17(2)24(28-11-16)19-10-22(27-12-20(19)26)31-8-7-30-13-21(29-23(30)14-31)25(33)32-6-4-5-18(32)15-34-3/h9-13,18H,4-8,14-15H2,1-3H3/t18-/m1/s1.
What are the key properties of [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 481.00 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 90656296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).