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

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

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Related Compounds

3-[3-(4-ethylpiperazin-1-yl)phenyl]-5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazine
CID 158280611
2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122670217
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 122670212
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]thiazinane 1,1-dioxide
CID 122670210
7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608495
2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol
CID 159490358
5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine
CID 158947619
5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608740
1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine
CID 67517127
2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 157391502
N-[3-[3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propane-2-sulfonamide
CID 122608763
7-naphthalen-2-yl-3-[(3R)-piperidin-3-yl]imidazo[4,5-b]pyridine
CID 57462542

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).