4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine

C28H29N7O — CID 159202024

IUPAC4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine
SMILESC1=C(c2ccc3ncn(C4CCCNC4)c3c2)c2nc(-c3ccnc(N4CCOCC4)c3)cnc2C1
InChIInChI=1S/C28H29N7O/c1-2-21(16-29-8-1)35-18-32-23-5-3-19(14-26(23)35)22-4-6-24-28(22)33-25(17-31-24)20-7-9-30-27(15-20)34-10-12-36-13-11-34/h3-5,7,9,14-15,17-18,21,29H,1-2,6,8,10-13,16H2
InChIKeyKPKIJGSFUOSPLS-UHFFFAOYSA-N
MW479.59 g/mol
LogP3.64
Rot. Bonds4

About 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine (PubChem CID 159202024) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine
PubChem CID159202024
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC Name4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine
SMILESC1=C(c2ccc3ncn(C4CCCNC4)c3c2)c2nc(-c3ccnc(N4CCOCC4)c3)cnc2C1
InChIInChI=1S/C28H29N7O/c1-2-21(16-29-8-1)35-18-32-23-5-3-19(14-26(23)35)22-4-6-24-28(22)33-25(17-31-24)20-7-9-30-27(15-20)34-10-12-36-13-11-34/h3-5,7,9,14-15,17-18,21,29H,1-2,6,8,10-13,16H2
InChIKeyKPKIJGSFUOSPLS-UHFFFAOYSA-N
XLogP3.64
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine (CID 159202024) is 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine is C1=C(c2ccc3ncn(C4CCCNC4)c3c2)c2nc(-c3ccnc(N4CCOCC4)c3)cnc2C1.
What is the InChIKey of 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is KPKIJGSFUOSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-2-21(16-29-8-1)35-18-32-23-5-3-19(14-26(23)35)22-4-6-24-28(22)33-25(17-31-24)20-7-9-30-27(15-20)34-10-12-36-13-11-34/h3-5,7,9,14-15,17-18,21,29H,1-2,6,8,10-13,16H2.
What are the key properties of 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 479.59 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 159202024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).