N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide

C21H23ClN6O — CID 90299606

IUPACN-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide
SMILESCCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C21H23ClN6O/c1-4-20(29)26-17-11-27-5-6-28(12-19(27)25-17)18-8-15(16(22)10-23-18)21-14(3)7-13(2)9-24-21/h7-11H,4-6,12H2,1-3H3,(H,26,29)
InChIKeyFQEXCVFLNODSOS-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.98
Rot. Bonds4

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

N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide (PubChem CID 90299606) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide
PubChem CID90299606
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC NameN-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide
SMILESCCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C21H23ClN6O/c1-4-20(29)26-17-11-27-5-6-28(12-19(27)25-17)18-8-15(16(22)10-23-18)21-14(3)7-13(2)9-24-21/h7-11H,4-6,12H2,1-3H3,(H,26,29)
InChIKeyFQEXCVFLNODSOS-UHFFFAOYSA-N
XLogP3.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide?
The IUPAC name of N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide (CID 90299606) is N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide.
What is the SMILES notation for N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide?
The canonical SMILES for N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide is CCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2.
What is the InChIKey of N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide?
The InChIKey is FQEXCVFLNODSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-4-20(29)26-17-11-27-5-6-28(12-19(27)25-17)18-8-15(16(22)10-23-18)21-14(3)7-13(2)9-24-21/h7-11H,4-6,12H2,1-3H3,(H,26,29).
What are the key properties of N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide?
N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide has a molecular weight of 410.91 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]propanamide is sourced from PubChem (CID 90299606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).