1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one

C23H24ClN5O2 — CID 66823430

IUPAC1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCN3CCCC3C2)nc1
InChIInChI=1S/C23H24ClN5O2/c24-17-3-4-18(25-13-17)16-31-21-7-9-29(23(30)12-21)19-5-6-22(26-14-19)28-11-10-27-8-1-2-20(27)15-28/h3-7,9,12-14,20H,1-2,8,10-11,15-16H2
InChIKeyPUDYVPYUQXHSRL-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.14
Rot. Bonds5

About 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one

1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 66823430) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
PubChem CID66823430
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCN3CCCC3C2)nc1
InChIInChI=1S/C23H24ClN5O2/c24-17-3-4-18(25-13-17)16-31-21-7-9-29(23(30)12-21)19-5-6-22(26-14-19)28-11-10-27-8-1-2-20(27)15-28/h3-7,9,12-14,20H,1-2,8,10-11,15-16H2
InChIKeyPUDYVPYUQXHSRL-UHFFFAOYSA-N
XLogP3.14
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one (CID 66823430) is 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCN3CCCC3C2)nc1.
What is the InChIKey of 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
The InChIKey is PUDYVPYUQXHSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-17-3-4-18(25-13-17)16-31-21-7-9-29(23(30)12-21)19-5-6-22(26-14-19)28-11-10-27-8-1-2-20(27)15-28/h3-7,9,12-14,20H,1-2,8,10-11,15-16H2.
What are the key properties of 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 437.93 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 66823430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).